[4-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol

C15H17ClN2O — CID 81238589

IUPAC[4-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
SMILESCC(c1ccc(Cl)cc1)N(C)c1ccncc1CO
InChIInChI=1S/C15H17ClN2O/c1-11(12-3-5-14(16)6-4-12)18(2)15-7-8-17-9-13(15)10-19/h3-9,11,19H,10H2,1-2H3
InChIKeyXIJMMVZSVQYREJ-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.42
Rot. Bonds4

About [4-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol

[4-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol (PubChem CID 81238589) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is [4-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
PubChem CID81238589
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name[4-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
SMILESCC(c1ccc(Cl)cc1)N(C)c1ccncc1CO
InChIInChI=1S/C15H17ClN2O/c1-11(12-3-5-14(16)6-4-12)18(2)15-7-8-17-9-13(15)10-19/h3-9,11,19H,10H2,1-2H3
InChIKeyXIJMMVZSVQYREJ-UHFFFAOYSA-N
XLogP3.42
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[1-(2-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
CID 81238920
3-(chloromethyl)-N-methyl-N-propan-2-ylpyridin-4-amine
CID 81237062
[5-chloro-2-[methyl(propan-2-yl)amino]phenyl]methanol
CID 114845155
5-chloro-2-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
CID 114846633
[5-chloro-6-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
CID 62978853
[3-[methyl(pentan-2-yl)amino]-4-pyridinyl]methanol
CID 105066726
N-butan-2-yl-3-(chloromethyl)-N-methylpyridin-4-amine
CID 81238160
(1S)-1-(4-chlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine
CID 138056238
[4-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-5-yl]methanol
CID 80693639
3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 66483342
3-(aminomethyl)-N-methyl-N-propan-2-ylpyridin-4-amine
CID 81249725
[2-[1-(4-chlorophenyl)ethyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79396955

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol?
The IUPAC name of [4-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol (CID 81238589) is [4-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol.
What is the SMILES notation for [4-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol?
The canonical SMILES for [4-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol is CC(c1ccc(Cl)cc1)N(C)c1ccncc1CO.
What is the InChIKey of [4-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol?
The InChIKey is XIJMMVZSVQYREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-11(12-3-5-14(16)6-4-12)18(2)15-7-8-17-9-13(15)10-19/h3-9,11,19H,10H2,1-2H3.
What are the key properties of [4-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol?
[4-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol has a molecular weight of 276.77 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol is sourced from PubChem (CID 81238589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).