[(2S)-2,3-dihydro-1H-indol-2-yl]methanamine

C9H12N2 — CID 82667971

IUPAC[(2S)-2,3-dihydro-1H-indol-2-yl]methanamine
SMILESNC[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C9H12N2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-4,8,11H,5-6,10H2/t8-/m0/s1
InChIKeyQOPBJIHGSQNGTB-QMMMGPOBSA-N
MW148.21 g/mol
LogP0.98
Rot. Bonds1

About [(2S)-2,3-dihydro-1H-indol-2-yl]methanamine

[(2S)-2,3-dihydro-1H-indol-2-yl]methanamine (PubChem CID 82667971) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is [(2S)-2,3-dihydro-1H-indol-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-2,3-dihydro-1H-indol-2-yl]methanamine
PubChem CID82667971
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name[(2S)-2,3-dihydro-1H-indol-2-yl]methanamine
SMILESNC[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C9H12N2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-4,8,11H,5-6,10H2/t8-/m0/s1
InChIKeyQOPBJIHGSQNGTB-QMMMGPOBSA-N
XLogP0.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-indol-2-yl)ethanamine;dihydrochloride
CID 165454907
(2S)-2-(iodomethyl)-2,3-dihydro-1H-indole
CID 26338665
(2R)-2-prop-2-enyl-2,3-dihydro-1H-indole
CID 1380957
(2R)-2-benzyl-2,3-dihydro-1H-indole
CID 71608217
3-(2,3-dihydro-1H-indol-2-yl)propan-1-ol
CID 10976039
(5-methyl-2,3-dihydro-1H-indol-2-yl)methanamine
CID 83860472
[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;hydrochloride
CID 156592430
2-(2-methylbutyl)-2,3-dihydro-1H-indole
CID 65042120
N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methylpropan-2-amine
CID 80567683
2-nonyl-2,3-dihydro-1H-indole
CID 65041926
N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]propan-2-amine
CID 130522123
(2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole
CID 139181598

Frequently Asked Questions

What is the IUPAC name of [(2S)-2,3-dihydro-1H-indol-2-yl]methanamine?
The IUPAC name of [(2S)-2,3-dihydro-1H-indol-2-yl]methanamine (CID 82667971) is [(2S)-2,3-dihydro-1H-indol-2-yl]methanamine.
What is the SMILES notation for [(2S)-2,3-dihydro-1H-indol-2-yl]methanamine?
The canonical SMILES for [(2S)-2,3-dihydro-1H-indol-2-yl]methanamine is NC[C@@H]1Cc2ccccc2N1.
What is the InChIKey of [(2S)-2,3-dihydro-1H-indol-2-yl]methanamine?
The InChIKey is QOPBJIHGSQNGTB-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12N2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-4,8,11H,5-6,10H2/t8-/m0/s1.
What are the key properties of [(2S)-2,3-dihydro-1H-indol-2-yl]methanamine?
[(2S)-2,3-dihydro-1H-indol-2-yl]methanamine has a molecular weight of 148.21 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,3-dihydro-1H-indol-2-yl]methanamine is sourced from PubChem (CID 82667971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).