3-amino-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol;hydrochloride

C18H19ClN2O — CID 118675600

IUPAC3-amino-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol;hydrochloride
SMILESCl.NCC(c1ccc2ccccc2c1)C(O)c1ccncc1
InChIInChI=1S/C18H18N2O.ClH/c19-12-17(18(21)14-7-9-20-10-8-14)16-6-5-13-3-1-2-4-15(13)11-16;/h1-11,17-18,21H,12,19H2;1H
InChIKeyXJAMHFXVUXYQNF-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.43
Rot. Bonds4

About 3-amino-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol;hydrochloride

3-amino-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol;hydrochloride (PubChem CID 118675600) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 3-amino-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol;hydrochloride
PubChem CID118675600
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name3-amino-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol;hydrochloride
SMILESCl.NCC(c1ccc2ccccc2c1)C(O)c1ccncc1
InChIInChI=1S/C18H18N2O.ClH/c19-12-17(18(21)14-7-9-20-10-8-14)16-6-5-13-3-1-2-4-15(13)11-16;/h1-11,17-18,21H,12,19H2;1H
InChIKeyXJAMHFXVUXYQNF-UHFFFAOYSA-N
XLogP3.43
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylamino)-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol
CID 118675562
3-amino-1-phenyl-2-pyridin-4-ylpropan-1-ol
CID 80525677
(1R,2R)-3-amino-1-(6-chloro-3-pyridinyl)-2-naphthalen-2-ylpropan-1-ol
CID 118675733
3-amino-2-(3-methylphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65188105
3-amino-2-(4-methylphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65188149
(2R)-3-methyl-2-naphthalen-2-ylbutan-1-amine
CID 121454680
3-amino-1-pyridin-3-yl-2-pyridin-4-ylpropan-1-ol
CID 80525679
(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride
CID 68765069
1-amino-4,4-dimethyl-2-naphthalen-2-ylhexan-3-ol
CID 69330267
3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 22385898
(1R,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 20631903
3-amino-1-(2-chlorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525726

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol;hydrochloride?
The IUPAC name of 3-amino-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol;hydrochloride (CID 118675600) is 3-amino-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol;hydrochloride is Cl.NCC(c1ccc2ccccc2c1)C(O)c1ccncc1.
What is the InChIKey of 3-amino-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol;hydrochloride?
The InChIKey is XJAMHFXVUXYQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O.ClH/c19-12-17(18(21)14-7-9-20-10-8-14)16-6-5-13-3-1-2-4-15(13)11-16;/h1-11,17-18,21H,12,19H2;1H.
What are the key properties of 3-amino-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol;hydrochloride?
3-amino-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol;hydrochloride has a molecular weight of 314.82 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 118675600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).