(1R,2S)-1-(3-chloro-4-pyridinyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol

C19H19ClN2O — CID 86288293

IUPAC(1R,2S)-1-(3-chloro-4-pyridinyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
SMILESCNC[C@H](c1ccc2ccccc2c1)[C@@H](O)c1ccncc1Cl
InChIInChI=1S/C19H19ClN2O/c1-21-11-17(19(23)16-8-9-22-12-18(16)20)15-7-6-13-4-2-3-5-14(13)10-15/h2-10,12,17,19,21,23H,11H2,1H3/t17-,19+/m1/s1
InChIKeySFVRYZSALZWGIG-MJGOQNOKSA-N
MW326.83 g/mol
LogP3.92
Rot. Bonds5

About (1R,2S)-1-(3-chloro-4-pyridinyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol

(1R,2S)-1-(3-chloro-4-pyridinyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol (PubChem CID 86288293) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is (1R,2S)-1-(3-chloro-4-pyridinyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-1-(3-chloro-4-pyridinyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
PubChem CID86288293
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name(1R,2S)-1-(3-chloro-4-pyridinyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
SMILESCNC[C@H](c1ccc2ccccc2c1)[C@@H](O)c1ccncc1Cl
InChIInChI=1S/C19H19ClN2O/c1-21-11-17(19(23)16-8-9-22-12-18(16)20)15-7-6-13-4-2-3-5-14(13)10-15/h2-10,12,17,19,21,23H,11H2,1H3/t17-,19+/m1/s1
InChIKeySFVRYZSALZWGIG-MJGOQNOKSA-N
XLogP3.92
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.92
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
(1R,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 20631903
(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride
CID 68765069
(1R)-1-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
CID 67204623
(2S)-3-chloro-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 68762237
(2S,3R)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol
CID 20631914
(1R,2R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 118675659
1-(methylamino)-2-naphthalen-2-ylheptan-3-ol
CID 70875702
1-(3-chloro-4-pyridinyl)-2-(4-propan-2-ylphenyl)ethanol
CID 105089032
N-methyl-2-naphthalen-2-ylpropan-1-amine
CID 19847434
(3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 68760026
3-amino-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol;hydrochloride
CID 118675600

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(3-chloro-4-pyridinyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol?
The IUPAC name of (1R,2S)-1-(3-chloro-4-pyridinyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol (CID 86288293) is (1R,2S)-1-(3-chloro-4-pyridinyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol.
What is the SMILES notation for (1R,2S)-1-(3-chloro-4-pyridinyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol?
The canonical SMILES for (1R,2S)-1-(3-chloro-4-pyridinyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol is CNC[C@H](c1ccc2ccccc2c1)[C@@H](O)c1ccncc1Cl.
What is the InChIKey of (1R,2S)-1-(3-chloro-4-pyridinyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol?
The InChIKey is SFVRYZSALZWGIG-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-21-11-17(19(23)16-8-9-22-12-18(16)20)15-7-6-13-4-2-3-5-14(13)10-15/h2-10,12,17,19,21,23H,11H2,1H3/t17-,19+/m1/s1.
What are the key properties of (1R,2S)-1-(3-chloro-4-pyridinyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol?
(1R,2S)-1-(3-chloro-4-pyridinyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol has a molecular weight of 326.83 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(3-chloro-4-pyridinyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol is sourced from PubChem (CID 86288293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).