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Chemical ID: 7100595

Chemical ID:

7100595

Name [?]:

N-[(4-benzyloxy-3-methoxy-phenyl)methyl]-1-phenyl-ethanamine

SMILES [?]:

CC(c1ccccc1)NCc2ccc(c(c2)OC)OCc3ccccc3

InChi [?]:

InChI=1/C23H25NO2/c1-18(21-11-7-4-8-12-21)24-16-20-13-14-22(23(15-20)25-2)26-17-19-9-5-3-6-10-19/h3-15,18,24H,16-17H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,18,24,6,23,25,5,7,22,26,4,8,12,13,16,10,20,2,21,11,3,14,15,9,17,19/E:(5,6)(7,8)(9,10)(11,12)/rA:26cCCCCCCCCNCCCCCCCOCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₅NO₂
All Atoms:	51
Heavy Atoms:	26
Chiral Atoms:	1

ZAP Information [?]

Total:	9.94739
Area:	608.043
Solvation:	-5.2537
Coulombic:	-27.045

Bond Count [?]

All:	28
Single:	19
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	347.45
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.04
LogP (Chemaxon):	5.03

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

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Chemical Mix	Source	External ID	Descriptor	Value