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Chemical ID: 5075575

Chemical ID:

5075575

Name [?]:

N-ethyl-N-[2-[2-(2-methyl-5-phenyl-pyrrol-1-yl)phenoxy]ethyl]ethanamine

SMILES [?]:

CCN(CC)CCOc1ccccc1n2c(ccc2c3ccccc3)C

InChi [?]:

InChI=1/C23H28N2O/c1-4-24(5-2)17-18-26-23-14-10-9-13-22(23)25-19(3)15-16-21(25)20-11-7-6-8-12-20/h6-16H,4-5,17-18H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,5,26,2,4,23,22,24,12,11,21,25,13,10,17,18,6,7,16,20,19,14,9,3,15,8/E:(1,2)(4,5)(7,8)(11,12)/rA:26nCCNCCCCOCCCCCCNCCCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s15;d16;s17;s15d18;s19;s20;d21;s22;d23;d20s24;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₈N₂O
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	9.93167
Area:	561.257
Solvation:	-4.09975
Coulombic:	-19.4572

Bond Count [?]

All:	28
Single:	20
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	348.481
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	5.49
LogP (Chemaxon):	4.58

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