(1S,2S)-2-(3,4-dichlorophenyl)-1-(5-methoxy-3-pyridinyl)-3-(methylamino)propan-1-ol;hydrochloride

C16H19Cl3N2O2 — CID 118675442

IUPAC(1S,2S)-2-(3,4-dichlorophenyl)-1-(5-methoxy-3-pyridinyl)-3-(methylamino)propan-1-ol;hydrochloride
SMILESCNC[C@H](c1ccc(Cl)c(Cl)c1)[C@H](O)c1cncc(OC)c1.Cl
InChIInChI=1S/C16H18Cl2N2O2.ClH/c1-19-9-13(10-3-4-14(17)15(18)6-10)16(21)11-5-12(22-2)8-20-7-11;/h3-8,13,16,19,21H,9H2,1-2H3;1H/t13-,16-;/m1./s1
InChIKeyJLHYZZRPDVWSTA-OALZAMAHSA-N
MW377.70 g/mol
LogP3.86
Rot. Bonds6

About (1S,2S)-2-(3,4-dichlorophenyl)-1-(5-methoxy-3-pyridinyl)-3-(methylamino)propan-1-ol;hydrochloride

(1S,2S)-2-(3,4-dichlorophenyl)-1-(5-methoxy-3-pyridinyl)-3-(methylamino)propan-1-ol;hydrochloride (PubChem CID 118675442) has the molecular formula C16H19Cl3N2O2 and a molecular weight of 377.70 g/mol. Its IUPAC name is (1S,2S)-2-(3,4-dichlorophenyl)-1-(5-methoxy-3-pyridinyl)-3-(methylamino)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2S)-2-(3,4-dichlorophenyl)-1-(5-methoxy-3-pyridinyl)-3-(methylamino)propan-1-ol;hydrochloride
PubChem CID118675442
Molecular FormulaC16H19Cl3N2O2
Molecular Weight377.70 g/mol
Exact Mass376.05
IUPAC Name(1S,2S)-2-(3,4-dichlorophenyl)-1-(5-methoxy-3-pyridinyl)-3-(methylamino)propan-1-ol;hydrochloride
SMILESCNC[C@H](c1ccc(Cl)c(Cl)c1)[C@H](O)c1cncc(OC)c1.Cl
InChIInChI=1S/C16H18Cl2N2O2.ClH/c1-19-9-13(10-3-4-14(17)15(18)6-10)16(21)11-5-12(22-2)8-20-7-11;/h3-8,13,16,19,21H,9H2,1-2H3;1H/t13-,16-;/m1./s1
InChIKeyJLHYZZRPDVWSTA-OALZAMAHSA-N
XLogP3.86
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.70
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol
CID 134419988
1-(3-bromophenyl)-2-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol
CID 118675472
3-amino-2-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 65190367
(1R,2R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 118675659
(1S)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(3-methylsulfonylphenyl)propan-1-ol
CID 134419986
2,2-difluoro-1-(5-methoxy-3-pyridinyl)ethanol
CID 112575542
(1R,2S)-1-(3-chloro-4-pyridinyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
CID 86288293
N-[(4-chloro-3-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105026066
3-azido-1-(5-methoxy-3-pyridinyl)propane-1,2-diol
CID 170825798
N-[(3-chloro-4-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105025776
(1S,2R)-1-(6-chloro-3-pyridinyl)-2-naphthalen-2-ylpentan-1-ol;(1S,2R)-2-(3,4-dichlorophenyl)-1-(5-methoxy-3-pyridinyl)pentan-1-ol;(1S,2R)-2-(3,4-dichlorophenyl)-1-(6-methoxy-2-pyridinyl)pentan-1-ol;(1R,2S)-2-(3,4-dichlorophenyl)-1-(6-methoxy-2-pyridinyl)pentan-1-ol;(1R)-2-(3,4-dichlorophenyl)-1-(2-methoxy-3-pyridinyl)pentan-1-ol;methane;(1S,2S)-1-(5-methoxy-3-pyridinyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol;(2S)-2-methyl-2-naphthalen-2-yl-3-pyridin-3-ylpropan-1-amine;(1R,2S)-2-naphthalen-2-yl-1-pyridin-3-ylpentan-1-ol
CID 158962465
(3,4-dichlorophenyl)-(3-methoxyphenyl)methanol
CID 61083356

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-(3,4-dichlorophenyl)-1-(5-methoxy-3-pyridinyl)-3-(methylamino)propan-1-ol;hydrochloride?
The IUPAC name of (1S,2S)-2-(3,4-dichlorophenyl)-1-(5-methoxy-3-pyridinyl)-3-(methylamino)propan-1-ol;hydrochloride (CID 118675442) is (1S,2S)-2-(3,4-dichlorophenyl)-1-(5-methoxy-3-pyridinyl)-3-(methylamino)propan-1-ol;hydrochloride.
What is the SMILES notation for (1S,2S)-2-(3,4-dichlorophenyl)-1-(5-methoxy-3-pyridinyl)-3-(methylamino)propan-1-ol;hydrochloride?
The canonical SMILES for (1S,2S)-2-(3,4-dichlorophenyl)-1-(5-methoxy-3-pyridinyl)-3-(methylamino)propan-1-ol;hydrochloride is CNC[C@H](c1ccc(Cl)c(Cl)c1)[C@H](O)c1cncc(OC)c1.Cl.
What is the InChIKey of (1S,2S)-2-(3,4-dichlorophenyl)-1-(5-methoxy-3-pyridinyl)-3-(methylamino)propan-1-ol;hydrochloride?
The InChIKey is JLHYZZRPDVWSTA-OALZAMAHSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2.ClH/c1-19-9-13(10-3-4-14(17)15(18)6-10)16(21)11-5-12(22-2)8-20-7-11;/h3-8,13,16,19,21H,9H2,1-2H3;1H/t13-,16-;/m1./s1.
What are the key properties of (1S,2S)-2-(3,4-dichlorophenyl)-1-(5-methoxy-3-pyridinyl)-3-(methylamino)propan-1-ol;hydrochloride?
(1S,2S)-2-(3,4-dichlorophenyl)-1-(5-methoxy-3-pyridinyl)-3-(methylamino)propan-1-ol;hydrochloride has a molecular weight of 377.70 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-(3,4-dichlorophenyl)-1-(5-methoxy-3-pyridinyl)-3-(methylamino)propan-1-ol;hydrochloride is sourced from PubChem (CID 118675442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).