3-(2-aminoethyl)-1-benzylindol-5-ol

C17H18N2O — CID 175444394

IUPAC3-(2-aminoethyl)-1-benzylindol-5-ol
SMILESNCCc1cn(Cc2ccccc2)c2ccc(O)cc12
InChIInChI=1S/C17H18N2O/c18-9-8-14-12-19(11-13-4-2-1-3-5-13)17-7-6-15(20)10-16(14)17/h1-7,10,12,20H,8-9,11,18H2
InChIKeyVILDMEQWSGMCIK-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.90
Rot. Bonds4

About 3-(2-aminoethyl)-1-benzylindol-5-ol

3-(2-aminoethyl)-1-benzylindol-5-ol (PubChem CID 175444394) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-benzylindol-5-ol.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-benzylindol-5-ol
PubChem CID175444394
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-(2-aminoethyl)-1-benzylindol-5-ol
SMILESNCCc1cn(Cc2ccccc2)c2ccc(O)cc12
InChIInChI=1S/C17H18N2O/c18-9-8-14-12-19(11-13-4-2-1-3-5-13)17-7-6-15(20)10-16(14)17/h1-7,10,12,20H,8-9,11,18H2
InChIKeyVILDMEQWSGMCIK-UHFFFAOYSA-N
XLogP2.90
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzylindol-3-yl)ethanol
CID 13134935
4-[[3-(2-aminoethyl)-5-[(3-methoxyphenyl)methoxy]indol-1-yl]methyl]benzoic acid
CID 70053001
2-[1-[(4-chloro-2-fluorophenyl)methyl]indol-3-yl]ethanamine
CID 114859178
2-[5-(naphthalen-2-ylmethoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]ethanamine;2,2,2-trifluoroacetic acid
CID 86583593
2-[1-(3-phenylpropyl)indol-3-yl]ethanamine
CID 63156675
3-[[3-(2-aminoethyl)-5-[(2-chloro-4-fluorophenyl)methoxy]indol-1-yl]methyl]benzoic acid
CID 70053116
benzyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10667803
(2S)-1-(1-benzyl-5-fluoroindol-3-yl)propan-2-amine
CID 41063932
2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-3-yl]ethanamine
CID 102620112
1-(1-benzyl-5-methylindol-3-yl)-N,N-dimethylmethanamine
CID 132510883
1-benzyl-3-but-3-enylindole
CID 174396068
3-(2-aminoethyl)-1-(3-aminopropyl)indole-5-carboxylic acid
CID 83963355

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-benzylindol-5-ol?
The IUPAC name of 3-(2-aminoethyl)-1-benzylindol-5-ol (CID 175444394) is 3-(2-aminoethyl)-1-benzylindol-5-ol.
What is the SMILES notation for 3-(2-aminoethyl)-1-benzylindol-5-ol?
The canonical SMILES for 3-(2-aminoethyl)-1-benzylindol-5-ol is NCCc1cn(Cc2ccccc2)c2ccc(O)cc12.
What is the InChIKey of 3-(2-aminoethyl)-1-benzylindol-5-ol?
The InChIKey is VILDMEQWSGMCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c18-9-8-14-12-19(11-13-4-2-1-3-5-13)17-7-6-15(20)10-16(14)17/h1-7,10,12,20H,8-9,11,18H2.
What are the key properties of 3-(2-aminoethyl)-1-benzylindol-5-ol?
3-(2-aminoethyl)-1-benzylindol-5-ol has a molecular weight of 266.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-benzylindol-5-ol is sourced from PubChem (CID 175444394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).