2-[2-(3-chloro-4-methylphenyl)ethyl-methylamino]-1-pyridin-4-ylethanol

C17H21ClN2O — CID 162200310

IUPAC2-[2-(3-chloro-4-methylphenyl)ethyl-methylamino]-1-pyridin-4-ylethanol
SMILESCc1ccc(CCN(C)CC(O)c2ccncc2)cc1Cl
InChIInChI=1S/C17H21ClN2O/c1-13-3-4-14(11-16(13)18)7-10-20(2)12-17(21)15-5-8-19-9-6-15/h3-6,8-9,11,17,21H,7,10,12H2,1-2H3
InChIKeyZRMLJTSQQQKDRF-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.25
Rot. Bonds6

About 2-[2-(3-chloro-4-methylphenyl)ethyl-methylamino]-1-pyridin-4-ylethanol

2-[2-(3-chloro-4-methylphenyl)ethyl-methylamino]-1-pyridin-4-ylethanol (PubChem CID 162200310) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-[2-(3-chloro-4-methylphenyl)ethyl-methylamino]-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-[2-(3-chloro-4-methylphenyl)ethyl-methylamino]-1-pyridin-4-ylethanol
PubChem CID162200310
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name2-[2-(3-chloro-4-methylphenyl)ethyl-methylamino]-1-pyridin-4-ylethanol
SMILESCc1ccc(CCN(C)CC(O)c2ccncc2)cc1Cl
InChIInChI=1S/C17H21ClN2O/c1-13-3-4-14(11-16(13)18)7-10-20(2)12-17(21)15-5-8-19-9-6-15/h3-6,8-9,11,17,21H,7,10,12H2,1-2H3
InChIKeyZRMLJTSQQQKDRF-UHFFFAOYSA-N
XLogP3.25
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol
CID 111463163
1-(2,4-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol
CID 110017074
(1R)-2-[methyl-[2-(3-methylphenyl)ethyl]amino]-1-phenylethanol
CID 28635005
1-(3,4-dichlorophenyl)-2-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]-methylamino]ethyl-methylamino]ethanol
CID 44537014
2-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenol
CID 142098901
1-(3-amino-4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-ol
CID 82136106
1-(3-chloro-4-methylphenyl)hexan-3-ol
CID 107561010
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 102662788
4-[3-[[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-methylamino]propyl]phenol
CID 70462662
2-chloro-4-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 81151057
2-[bis(2-methylpropyl)amino]-1-pyridin-4-ylethanol
CID 82216500
1-(3,5-dimethylphenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanol
CID 79037353

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-4-methylphenyl)ethyl-methylamino]-1-pyridin-4-ylethanol?
The IUPAC name of 2-[2-(3-chloro-4-methylphenyl)ethyl-methylamino]-1-pyridin-4-ylethanol (CID 162200310) is 2-[2-(3-chloro-4-methylphenyl)ethyl-methylamino]-1-pyridin-4-ylethanol.
What is the SMILES notation for 2-[2-(3-chloro-4-methylphenyl)ethyl-methylamino]-1-pyridin-4-ylethanol?
The canonical SMILES for 2-[2-(3-chloro-4-methylphenyl)ethyl-methylamino]-1-pyridin-4-ylethanol is Cc1ccc(CCN(C)CC(O)c2ccncc2)cc1Cl.
What is the InChIKey of 2-[2-(3-chloro-4-methylphenyl)ethyl-methylamino]-1-pyridin-4-ylethanol?
The InChIKey is ZRMLJTSQQQKDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-13-3-4-14(11-16(13)18)7-10-20(2)12-17(21)15-5-8-19-9-6-15/h3-6,8-9,11,17,21H,7,10,12H2,1-2H3.
What are the key properties of 2-[2-(3-chloro-4-methylphenyl)ethyl-methylamino]-1-pyridin-4-ylethanol?
2-[2-(3-chloro-4-methylphenyl)ethyl-methylamino]-1-pyridin-4-ylethanol has a molecular weight of 304.82 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-4-methylphenyl)ethyl-methylamino]-1-pyridin-4-ylethanol is sourced from PubChem (CID 162200310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).