(1R,2R)-3-amino-1-(6-chloro-3-pyridinyl)-2-naphthalen-2-ylpropan-1-ol

C18H17ClN2O — CID 118675733

IUPAC(1R,2R)-3-amino-1-(6-chloro-3-pyridinyl)-2-naphthalen-2-ylpropan-1-ol
SMILESNC[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1ccc(Cl)nc1
InChIInChI=1S/C18H17ClN2O/c19-17-8-7-15(11-21-17)18(22)16(10-20)14-6-5-12-3-1-2-4-13(12)9-14/h1-9,11,16,18,22H,10,20H2/t16-,18-/m0/s1
InChIKeyBAAMULBKWXYDRF-WMZOPIPTSA-N
MW312.80 g/mol
LogP3.66
Rot. Bonds4

About (1R,2R)-3-amino-1-(6-chloro-3-pyridinyl)-2-naphthalen-2-ylpropan-1-ol

(1R,2R)-3-amino-1-(6-chloro-3-pyridinyl)-2-naphthalen-2-ylpropan-1-ol (PubChem CID 118675733) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is (1R,2R)-3-amino-1-(6-chloro-3-pyridinyl)-2-naphthalen-2-ylpropan-1-ol.

Molecular Properties

Compound Name(1R,2R)-3-amino-1-(6-chloro-3-pyridinyl)-2-naphthalen-2-ylpropan-1-ol
PubChem CID118675733
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name(1R,2R)-3-amino-1-(6-chloro-3-pyridinyl)-2-naphthalen-2-ylpropan-1-ol
SMILESNC[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1ccc(Cl)nc1
InChIInChI=1S/C18H17ClN2O/c19-17-8-7-15(11-21-17)18(22)16(10-20)14-6-5-12-3-1-2-4-13(12)9-14/h1-9,11,16,18,22H,10,20H2/t16-,18-/m0/s1
InChIKeyBAAMULBKWXYDRF-WMZOPIPTSA-N
XLogP3.66
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol;hydrochloride
CID 118675600
3-amino-1-(6-chloro-3-pyridinyl)propane-1,2-diol
CID 170827531
4-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol
CID 171880722
(2R)-3-methyl-2-naphthalen-2-ylbutan-1-amine
CID 121454680
1-amino-4,4-dimethyl-2-naphthalen-2-ylhexan-3-ol
CID 69330267
3-amino-1-(2-chloroquinolin-6-yl)propane-1,2-diol
CID 170828786
3-amino-2-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 65190367
4-chloro-1-(6-chloro-3-pyridinyl)butane-1,2-diol
CID 171893265
4-bromo-1-naphthalen-2-ylbutane-1,2-diol
CID 171892195
3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65190727
1-(6-chloro-3-pyridinyl)-2,2-difluoroethanol
CID 131509867
3-amino-1-naphthalen-2-ylpropan-1-ol
CID 65184856

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-3-amino-1-(6-chloro-3-pyridinyl)-2-naphthalen-2-ylpropan-1-ol?
The IUPAC name of (1R,2R)-3-amino-1-(6-chloro-3-pyridinyl)-2-naphthalen-2-ylpropan-1-ol (CID 118675733) is (1R,2R)-3-amino-1-(6-chloro-3-pyridinyl)-2-naphthalen-2-ylpropan-1-ol.
What is the SMILES notation for (1R,2R)-3-amino-1-(6-chloro-3-pyridinyl)-2-naphthalen-2-ylpropan-1-ol?
The canonical SMILES for (1R,2R)-3-amino-1-(6-chloro-3-pyridinyl)-2-naphthalen-2-ylpropan-1-ol is NC[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1ccc(Cl)nc1.
What is the InChIKey of (1R,2R)-3-amino-1-(6-chloro-3-pyridinyl)-2-naphthalen-2-ylpropan-1-ol?
The InChIKey is BAAMULBKWXYDRF-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H17ClN2O/c19-17-8-7-15(11-21-17)18(22)16(10-20)14-6-5-12-3-1-2-4-13(12)9-14/h1-9,11,16,18,22H,10,20H2/t16-,18-/m0/s1.
What are the key properties of (1R,2R)-3-amino-1-(6-chloro-3-pyridinyl)-2-naphthalen-2-ylpropan-1-ol?
(1R,2R)-3-amino-1-(6-chloro-3-pyridinyl)-2-naphthalen-2-ylpropan-1-ol has a molecular weight of 312.80 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-3-amino-1-(6-chloro-3-pyridinyl)-2-naphthalen-2-ylpropan-1-ol is sourced from PubChem (CID 118675733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).