(2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol

C12H16N2O — CID 96903920

IUPAC(2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol
SMILESC[C@@H](O)CNCc1cccc2cc[nH]c12
InChIInChI=1S/C12H16N2O/c1-9(15)7-13-8-11-4-2-3-10-5-6-14-12(10)11/h2-6,9,13-15H,7-8H2,1H3/t9-/m1/s1
InChIKeyTZTOCVKFWOKCIY-SECBINFHSA-N
MW204.27 g/mol
LogP1.64
Rot. Bonds4

About (2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol

(2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol (PubChem CID 96903920) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol
PubChem CID96903920
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol
SMILESC[C@@H](O)CNCc1cccc2cc[nH]c12
InChIInChI=1S/C12H16N2O/c1-9(15)7-13-8-11-4-2-3-10-5-6-14-12(10)11/h2-6,9,13-15H,7-8H2,1H3/t9-/m1/s1
InChIKeyTZTOCVKFWOKCIY-SECBINFHSA-N
XLogP1.64
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine
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2-(1H-indol-7-ylmethylamino)-N-methylacetamide
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N-(1H-indol-7-ylmethyl)-3,3-dimethylbutan-2-amine
CID 113234819
N-(1H-indol-7-ylmethyl)-4-methylpent-1-yn-3-amine
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3-(1H-indol-7-ylmethylamino)-4-methylpentan-1-ol
CID 103701053
N-(1H-indol-7-ylmethyl)-2-methylsulfanylethanamine;hydrochloride
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N-(1H-indol-7-ylmethyl)pentan-3-amine;hydrochloride
CID 115606795
N-(1H-indol-7-ylmethyl)-2-methoxy-2-methylpropan-1-amine
CID 113243504
N-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide
CID 83030773
(1S)-N-(1H-indol-7-ylmethyl)-1-(4-methylphenyl)ethanamine
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N-(1H-indol-7-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride
CID 115607465

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol?
The IUPAC name of (2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol (CID 96903920) is (2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol is C[C@@H](O)CNCc1cccc2cc[nH]c12.
What is the InChIKey of (2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol?
The InChIKey is TZTOCVKFWOKCIY-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(15)7-13-8-11-4-2-3-10-5-6-14-12(10)11/h2-6,9,13-15H,7-8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol?
(2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol has a molecular weight of 204.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol is sourced from PubChem (CID 96903920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).