(1S,2S)-2-[1H-indol-3-ylmethyl(methyl)amino]-1-phenylpropan-1-ol

C19H22N2O — CID 101122939

IUPAC(1S,2S)-2-[1H-indol-3-ylmethyl(methyl)amino]-1-phenylpropan-1-ol
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H22N2O/c1-14(19(22)15-8-4-3-5-9-15)21(2)13-16-12-20-18-11-7-6-10-17(16)18/h3-12,14,19-20,22H,13H2,1-2H3/t14-,19+/m0/s1
InChIKeyCDRIUGKQLDWUDV-IFXJQAMLSA-N
MW294.40 g/mol
LogP3.72
Rot. Bonds5

About (1S,2S)-2-[1H-indol-3-ylmethyl(methyl)amino]-1-phenylpropan-1-ol

(1S,2S)-2-[1H-indol-3-ylmethyl(methyl)amino]-1-phenylpropan-1-ol (PubChem CID 101122939) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (1S,2S)-2-[1H-indol-3-ylmethyl(methyl)amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-[1H-indol-3-ylmethyl(methyl)amino]-1-phenylpropan-1-ol
PubChem CID101122939
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(1S,2S)-2-[1H-indol-3-ylmethyl(methyl)amino]-1-phenylpropan-1-ol
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H22N2O/c1-14(19(22)15-8-4-3-5-9-15)21(2)13-16-12-20-18-11-7-6-10-17(16)18/h3-12,14,19-20,22H,13H2,1-2H3/t14-,19+/m0/s1
InChIKeyCDRIUGKQLDWUDV-IFXJQAMLSA-N
XLogP3.72
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-2-[methyl-[(1-methylindol-3-yl)methyl]amino]-1-phenylpropan-1-ol
CID 15496455
2-[1H-indol-3-ylmethyl(methyl)amino]propanenitrile
CID 115130271
(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
3-[1H-indol-3-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 65067496
N-(1H-indol-3-ylmethyl)-N-(2-phenylpropyl)aniline
CID 71677022
2-[methyl-[(2-propan-2-yloxyphenyl)methyl]amino]-1-phenylpropan-1-ol
CID 54856739
2-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 54856639
N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
(2R)-2-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethyl-2-phenylacetamide
CID 40938355
2-[acetyl(1H-indol-3-ylmethyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 51362594

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-[1H-indol-3-ylmethyl(methyl)amino]-1-phenylpropan-1-ol?
The IUPAC name of (1S,2S)-2-[1H-indol-3-ylmethyl(methyl)amino]-1-phenylpropan-1-ol (CID 101122939) is (1S,2S)-2-[1H-indol-3-ylmethyl(methyl)amino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1S,2S)-2-[1H-indol-3-ylmethyl(methyl)amino]-1-phenylpropan-1-ol?
The canonical SMILES for (1S,2S)-2-[1H-indol-3-ylmethyl(methyl)amino]-1-phenylpropan-1-ol is C[C@@H]([C@@H](O)c1ccccc1)N(C)Cc1c[nH]c2ccccc12.
What is the InChIKey of (1S,2S)-2-[1H-indol-3-ylmethyl(methyl)amino]-1-phenylpropan-1-ol?
The InChIKey is CDRIUGKQLDWUDV-IFXJQAMLSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14(19(22)15-8-4-3-5-9-15)21(2)13-16-12-20-18-11-7-6-10-17(16)18/h3-12,14,19-20,22H,13H2,1-2H3/t14-,19+/m0/s1.
What are the key properties of (1S,2S)-2-[1H-indol-3-ylmethyl(methyl)amino]-1-phenylpropan-1-ol?
(1S,2S)-2-[1H-indol-3-ylmethyl(methyl)amino]-1-phenylpropan-1-ol has a molecular weight of 294.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-[1H-indol-3-ylmethyl(methyl)amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 101122939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).