(3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride

C13H16ClNO — CID 171220879

IUPAC(3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCO)c1ccc2ccccc2c1
InChIInChI=1S/C13H15NO.ClH/c14-13(7-8-15)12-6-5-10-3-1-2-4-11(10)9-12;/h1-6,9,13,15H,7-8,14H2;1H/t13-;/m0./s1
InChIKeyGSTQWAFPFVLAKG-ZOWNYOTGSA-N
MW237.73 g/mol
LogP2.64
Rot. Bonds3

About (3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride

(3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride (PubChem CID 171220879) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is (3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride
PubChem CID171220879
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name(3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCO)c1ccc2ccccc2c1
InChIInChI=1S/C13H15NO.ClH/c14-13(7-8-15)12-6-5-10-3-1-2-4-11(10)9-12;/h1-6,9,13,15H,7-8,14H2;1H/t13-;/m0./s1
InChIKeyGSTQWAFPFVLAKG-ZOWNYOTGSA-N
XLogP2.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(1R)-1-amino-3-hydroxypropyl]naphthalen-2-ol
CID 131323903
(1S)-1-naphthalen-2-ylpentane-1,5-diamine;hydrochloride
CID 171220846
(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735
(1R)-1-naphthalen-2-ylpentan-1-amine
CID 171201313
(3R)-3-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride
CID 127263273
6-[(1R)-1-amino-4-hydroxybutyl]naphthalen-2-ol;hydrochloride
CID 171201678
6-[(1S)-1-amino-4-hydroxybutyl]naphthalen-2-ol;hydrochloride
CID 171221215
1-naphthalen-2-yl-4-phenylbutan-1-amine
CID 63416758
(3S)-3-amino-3-(3-propan-2-ylphenyl)propan-1-ol;hydrochloride
CID 171231623
(1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride
CID 171201317
3-ethoxy-1-naphthalen-2-ylpropan-1-amine
CID 112688301
3-amino-3-(4-phenylphenyl)propan-1-ol;hydrochloride
CID 170874439

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride?
The IUPAC name of (3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride (CID 171220879) is (3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for (3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride?
The canonical SMILES for (3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride is Cl.N[C@@H](CCO)c1ccc2ccccc2c1.
What is the InChIKey of (3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride?
The InChIKey is GSTQWAFPFVLAKG-ZOWNYOTGSA-N. The full InChI is InChI=1S/C13H15NO.ClH/c14-13(7-8-15)12-6-5-10-3-1-2-4-11(10)9-12;/h1-6,9,13,15H,7-8,14H2;1H/t13-;/m0./s1.
What are the key properties of (3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride?
(3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride has a molecular weight of 237.73 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 171220879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).