1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol

C16H19ClN2O — CID 111463163

IUPAC1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol
SMILESCN(CCc1ccncc1)CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O/c1-19(11-8-13-6-9-18-10-7-13)12-16(20)14-2-4-15(17)5-3-14/h2-7,9-10,16,20H,8,11-12H2,1H3
InChIKeyUYZKHAYRIBWAOB-UHFFFAOYSA-N
MW290.79 g/mol
LogP2.94
Rot. Bonds6

About 1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol

1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol (PubChem CID 111463163) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol
PubChem CID111463163
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol
SMILESCN(CCc1ccncc1)CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O/c1-19(11-8-13-6-9-18-10-7-13)12-16(20)14-2-4-15(17)5-3-14/h2-7,9-10,16,20H,8,11-12H2,1H3
InChIKeyUYZKHAYRIBWAOB-UHFFFAOYSA-N
XLogP2.94
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol
CID 110017074
2-[2-(3-chloro-4-methylphenyl)ethyl-methylamino]-1-pyridin-4-ylethanol
CID 162200310
1-(4-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 62644490
1-(4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol
CID 110908142
1-amino-3-[2-(4-chlorophenyl)ethyl-methylamino]propan-2-ol
CID 115121708
3-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol
CID 110830648
1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol
CID 111336418
(2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 7138367
1-(3,4-dichlorophenyl)-2-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]-methylamino]ethyl-methylamino]ethanol
CID 44537014
4-[3-[[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-methylamino]propyl]phenol
CID 70462662
(2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine
CID 94174191
2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110755605

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol (CID 111463163) is 1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol is CN(CCc1ccncc1)CC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol?
The InChIKey is UYZKHAYRIBWAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-19(11-8-13-6-9-18-10-7-13)12-16(20)14-2-4-15(17)5-3-14/h2-7,9-10,16,20H,8,11-12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol?
1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol has a molecular weight of 290.79 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol is sourced from PubChem (CID 111463163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).