(3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine

C9H12N2O — CID 56971695

IUPAC(3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine
SMILESN[C@H]1Cc2ccccc2N(O)C1
InChIInChI=1S/C9H12N2O/c10-8-5-7-3-1-2-4-9(7)11(12)6-8/h1-4,8,12H,5-6,10H2/t8-/m0/s1
InChIKeyKOVJVYABLVJYRF-QMMMGPOBSA-N
MW164.21 g/mol
LogP0.77
Rot. Bonds

About (3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine

(3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine (PubChem CID 56971695) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine.

Molecular Properties

Compound Name(3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine
PubChem CID56971695
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine
SMILESN[C@H]1Cc2ccccc2N(O)C1
InChIInChI=1S/C9H12N2O/c10-8-5-7-3-1-2-4-9(7)11(12)6-8/h1-4,8,12H,5-6,10H2/t8-/m0/s1
InChIKeyKOVJVYABLVJYRF-QMMMGPOBSA-N
XLogP0.77
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-7-bromo-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine
CID 141286392
1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-difluoroethanone
CID 103514183
1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxy-2-methylpropan-1-one
CID 103021502
3-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoic acid
CID 79621871
1-benzyl-3,4-dihydro-2H-quinolin-3-amine;2,2,2-trifluoroacetic acid
CID 161163508
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-[(2R)-oxolan-2-yl]methanone
CID 104856313
2,3-dihydro-1H-inden-2-amine;ethane
CID 142154792
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,4-dihydro-2H-quinolin-3-amine
CID 112590889
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromofuran-3-yl)methanone
CID 106855124
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methylfuran-3-yl)methanone
CID 114821989
1-(3-ethylsulfanylpropyl)-3,4-dihydro-2H-quinolin-3-amine
CID 113473939
2-[1-[(3-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile
CID 65496770

Frequently Asked Questions

What is the IUPAC name of (3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine?
The IUPAC name of (3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine (CID 56971695) is (3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine.
What is the SMILES notation for (3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine?
The canonical SMILES for (3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine is N[C@H]1Cc2ccccc2N(O)C1.
What is the InChIKey of (3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine?
The InChIKey is KOVJVYABLVJYRF-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12N2O/c10-8-5-7-3-1-2-4-9(7)11(12)6-8/h1-4,8,12H,5-6,10H2/t8-/m0/s1.
What are the key properties of (3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine?
(3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine has a molecular weight of 164.21 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine is sourced from PubChem (CID 56971695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).