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Chemical ID: 6046170

CCC(=C(c1ccccc1)c2ccc(cc2)OCCNC)c3ccccc3

Chemical ID:

6046170

Name [?]:

2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N-methyl-ethanamine

SMILES [?]:

CCC(=C(c1ccccc1)c2ccc(cc2)OCCNC)c3ccccc3

InChi [?]:

InChI=1/C25H27NO/c1-3-24(20-10-6-4-7-11-20)25(21-12-8-5-9-13-21)22-14-16-23(17-15-22)27-19-18-26-2/h4-17,26H,3,18-19H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,21,2,25,8,24,26,7,9,23,27,6,10,12,16,13,15,19,18,22,5,11,14,3,4,20,17/E:(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:27nCCCCCCCCCCCCCCCCOCCNCCCCCCC/rB:s1;s2;w3;s4;s5;d6;s7;d8;d5s9;s4;s11;d12;s13;d14;d11s15;s14;s17;s18;s19;s20;s3;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₇NO
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	12.1071
Area:	599.146
Solvation:	-2.87156
Coulombic:	-21.5645

Bond Count [?]

All:	29
Single:	19
Double:	10
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	357.488
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	6.86
LogP (Chemaxon):	5.92

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value