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Chemical ID: 7434313

Chemical ID:

7434313

Name [?]:

2-(1H-indol-3-yl)-2-(2-methoxyphenyl)-ethanamine

SMILES [?]:

COc1ccccc1C(CN)c2c[nH]c3c2cccc3

InChi [?]:

InChI=1/C17H18N2O/c1-20-17-9-5-3-7-13(17)14(10-18)15-11-19-16-8-4-2-6-12(15)16/h2-9,11,14,19H,10,18H2,1H3

InChi Info:

AuxInfo=1/0/N:1,18,6,19,5,17,7,20,4,10,13,16,8,9,12,15,3,11,14,2/rA:20cCOCCCCCCCCNCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s9;d12;s13;s14;s12s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₈N₂O
All Atoms:	38
Heavy Atoms:	20
Chiral Atoms:	1

ZAP Information [?]

Total:	8.26427
Area:	452.706
Solvation:	-3.05339
Coulombic:	-32.3674

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	266.338
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	2.78
LogP (Chemaxon):	3.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value