2-amino-3-(5-methyl-1H-indol-3-yl)propan-1-ol

C12H16N2O — CID 66932814

IUPAC2-amino-3-(5-methyl-1H-indol-3-yl)propan-1-ol
SMILESCc1ccc2[nH]cc(CC(N)CO)c2c1
InChIInChI=1S/C12H16N2O/c1-8-2-3-12-11(4-8)9(6-14-12)5-10(13)7-15/h2-4,6,10,14-15H,5,7,13H2,1H3
InChIKeyOFKPYHCGHDVIJM-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.34
Rot. Bonds3

About 2-amino-3-(5-methyl-1H-indol-3-yl)propan-1-ol

2-amino-3-(5-methyl-1H-indol-3-yl)propan-1-ol (PubChem CID 66932814) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-amino-3-(5-methyl-1H-indol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(5-methyl-1H-indol-3-yl)propan-1-ol
PubChem CID66932814
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-amino-3-(5-methyl-1H-indol-3-yl)propan-1-ol
SMILESCc1ccc2[nH]cc(CC(N)CO)c2c1
InChIInChI=1S/C12H16N2O/c1-8-2-3-12-11(4-8)9(6-14-12)5-10(13)7-15/h2-4,6,10,14-15H,5,7,13H2,1H3
InChIKeyOFKPYHCGHDVIJM-UHFFFAOYSA-N
XLogP1.34
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(5-methyl-1H-indol-3-yl)propan-1-ol
CID 159635316
(2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol
CID 121221172
2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;hydrate
CID 18530245
(2S)-2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;hydrochloride
CID 21122035
2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;ethane
CID 145142449
(2S)-2-amino-3-[5-(4-methylphenyl)-1H-indol-3-yl]propanoic acid
CID 25111495
(2S)-2-amino-3-(2,4-dimethylphenyl)propan-1-ol;hydrochloride
CID 131885660
1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 117067481
2,2-difluoro-3-[1-(5-methyl-1H-indol-3-yl)propan-2-ylamino]propan-1-ol
CID 174234138
1-(5-fluoro-1H-indol-3-yl)butan-2-amine
CID 118713118
N-methyl-1-(5-methyl-1H-indol-3-yl)hexan-2-amine
CID 166670394
3-(5-methyl-1H-indol-3-yl)-2-(oxoboranylmethylamino)propanoic acid
CID 54078540

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-methyl-1H-indol-3-yl)propan-1-ol?
The IUPAC name of 2-amino-3-(5-methyl-1H-indol-3-yl)propan-1-ol (CID 66932814) is 2-amino-3-(5-methyl-1H-indol-3-yl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(5-methyl-1H-indol-3-yl)propan-1-ol?
The canonical SMILES for 2-amino-3-(5-methyl-1H-indol-3-yl)propan-1-ol is Cc1ccc2[nH]cc(CC(N)CO)c2c1.
What is the InChIKey of 2-amino-3-(5-methyl-1H-indol-3-yl)propan-1-ol?
The InChIKey is OFKPYHCGHDVIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-2-3-12-11(4-8)9(6-14-12)5-10(13)7-15/h2-4,6,10,14-15H,5,7,13H2,1H3.
What are the key properties of 2-amino-3-(5-methyl-1H-indol-3-yl)propan-1-ol?
2-amino-3-(5-methyl-1H-indol-3-yl)propan-1-ol has a molecular weight of 204.27 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-methyl-1H-indol-3-yl)propan-1-ol is sourced from PubChem (CID 66932814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).