1-(5-chloro-3-pyridinyl)-2-[(3,4-dimethylphenyl)methylamino]ethanol

C16H19ClN2O — CID 168981686

IUPAC1-(5-chloro-3-pyridinyl)-2-[(3,4-dimethylphenyl)methylamino]ethanol
SMILESCc1ccc(CNCC(O)c2cncc(Cl)c2)cc1C
InChIInChI=1S/C16H19ClN2O/c1-11-3-4-13(5-12(11)2)7-18-10-16(20)14-6-15(17)9-19-8-14/h3-6,8-9,16,18,20H,7,10H2,1-2H3
InChIKeyOLFFDHXNVSFYIM-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.18
Rot. Bonds5

About 1-(5-chloro-3-pyridinyl)-2-[(3,4-dimethylphenyl)methylamino]ethanol

1-(5-chloro-3-pyridinyl)-2-[(3,4-dimethylphenyl)methylamino]ethanol (PubChem CID 168981686) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-(5-chloro-3-pyridinyl)-2-[(3,4-dimethylphenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(5-chloro-3-pyridinyl)-2-[(3,4-dimethylphenyl)methylamino]ethanol
PubChem CID168981686
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name1-(5-chloro-3-pyridinyl)-2-[(3,4-dimethylphenyl)methylamino]ethanol
SMILESCc1ccc(CNCC(O)c2cncc(Cl)c2)cc1C
InChIInChI=1S/C16H19ClN2O/c1-11-3-4-13(5-12(11)2)7-18-10-16(20)14-6-15(17)9-19-8-14/h3-6,8-9,16,18,20H,7,10H2,1-2H3
InChIKeyOLFFDHXNVSFYIM-UHFFFAOYSA-N
XLogP3.18
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[[(2R)-2-(5-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenol
CID 69053107
1-(5-chloro-3-pyridinyl)-2-(methylamino)ethanol
CID 84660765
1-[(3,4-dimethylphenyl)methylamino]propan-2-ol
CID 43220826
2-[[(3,4-dimethylphenyl)methylamino]methyl]butan-1-ol
CID 115250742
2-(3,4-dimethylphenyl)-1-pyrimidin-5-ylethanol
CID 62901869
2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol
CID 2978838
1-(4-chlorophenyl)-2-[(3-methylphenyl)methylamino]ethanol
CID 60728914
(2S)-N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 59084994
2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol;hydrochloride
CID 2978837
5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol
CID 94803138
2-[(6-chloro-3-pyridinyl)methylamino]-1-(4-methylphenyl)ethanol
CID 111476645
1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol
CID 60724900

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-pyridinyl)-2-[(3,4-dimethylphenyl)methylamino]ethanol?
The IUPAC name of 1-(5-chloro-3-pyridinyl)-2-[(3,4-dimethylphenyl)methylamino]ethanol (CID 168981686) is 1-(5-chloro-3-pyridinyl)-2-[(3,4-dimethylphenyl)methylamino]ethanol.
What is the SMILES notation for 1-(5-chloro-3-pyridinyl)-2-[(3,4-dimethylphenyl)methylamino]ethanol?
The canonical SMILES for 1-(5-chloro-3-pyridinyl)-2-[(3,4-dimethylphenyl)methylamino]ethanol is Cc1ccc(CNCC(O)c2cncc(Cl)c2)cc1C.
What is the InChIKey of 1-(5-chloro-3-pyridinyl)-2-[(3,4-dimethylphenyl)methylamino]ethanol?
The InChIKey is OLFFDHXNVSFYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-11-3-4-13(5-12(11)2)7-18-10-16(20)14-6-15(17)9-19-8-14/h3-6,8-9,16,18,20H,7,10H2,1-2H3.
What are the key properties of 1-(5-chloro-3-pyridinyl)-2-[(3,4-dimethylphenyl)methylamino]ethanol?
1-(5-chloro-3-pyridinyl)-2-[(3,4-dimethylphenyl)methylamino]ethanol has a molecular weight of 290.79 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-pyridinyl)-2-[(3,4-dimethylphenyl)methylamino]ethanol is sourced from PubChem (CID 168981686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).