1-[4-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]ethanol

C14H15ClN2O — CID 122159447

IUPAC1-[4-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]ethanol
SMILESCC(O)c1ccc(CNc2ccncc2Cl)cc1
InChIInChI=1S/C14H15ClN2O/c1-10(18)12-4-2-11(3-5-12)8-17-14-6-7-16-9-13(14)15/h2-7,9-10,18H,8H2,1H3,(H,16,17)
InChIKeyJOGXIPHTIAMKSV-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.40
Rot. Bonds4

About 1-[4-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]ethanol

1-[4-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]ethanol (PubChem CID 122159447) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 1-[4-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]ethanol
PubChem CID122159447
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name1-[4-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]ethanol
SMILESCC(O)c1ccc(CNc2ccncc2Cl)cc1
InChIInChI=1S/C14H15ClN2O/c1-10(18)12-4-2-11(3-5-12)8-17-14-6-7-16-9-13(14)15/h2-7,9-10,18H,8H2,1H3,(H,16,17)
InChIKeyJOGXIPHTIAMKSV-UHFFFAOYSA-N
XLogP3.40
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 79839877
3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-4-amine
CID 79839987
(1S)-1-[4-[[(8-nitroisoquinolin-5-yl)amino]methyl]phenyl]ethanol
CID 94497975
3-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 79769796
1-(3-chloro-4-pyridinyl)-2-(4-propan-2-ylphenyl)ethanol
CID 105089032
N-[1-[4-(aminomethyl)phenyl]ethyl]-3-chloropyridin-4-amine
CID 79841475
2-[(3-chloro-4-pyridinyl)amino]-1-(4-methoxyphenyl)ethanol
CID 133351741
3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine
CID 114700905
2-[(3-chloro-4-pyridinyl)amino]-1-phenylethanol
CID 79839104
3-[(3-chloro-4-pyridinyl)amino]butan-2-ol
CID 126992331
3-chloro-N-(4-methylpentyl)pyridin-4-amine
CID 79839670
(1S)-1-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]ethanol
CID 97020715

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]ethanol?
The IUPAC name of 1-[4-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]ethanol (CID 122159447) is 1-[4-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]ethanol.
What is the SMILES notation for 1-[4-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]ethanol?
The canonical SMILES for 1-[4-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]ethanol is CC(O)c1ccc(CNc2ccncc2Cl)cc1.
What is the InChIKey of 1-[4-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]ethanol?
The InChIKey is JOGXIPHTIAMKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-10(18)12-4-2-11(3-5-12)8-17-14-6-7-16-9-13(14)15/h2-7,9-10,18H,8H2,1H3,(H,16,17).
What are the key properties of 1-[4-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]ethanol?
1-[4-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]ethanol has a molecular weight of 262.74 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]ethanol is sourced from PubChem (CID 122159447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).