[4-[[(3-chloro-4-pyridinyl)methylamino]methyl]phenyl]methanol

C14H15ClN2O — CID 107230962

IUPAC[4-[[(3-chloro-4-pyridinyl)methylamino]methyl]phenyl]methanol
SMILESOCc1ccc(CNCc2ccncc2Cl)cc1
InChIInChI=1S/C14H15ClN2O/c15-14-9-16-6-5-13(14)8-17-7-11-1-3-12(10-18)4-2-11/h1-6,9,17-18H,7-8,10H2
InChIKeyWEBFPGZWBMUVRY-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.52
Rot. Bonds5

About [4-[[(3-chloro-4-pyridinyl)methylamino]methyl]phenyl]methanol

[4-[[(3-chloro-4-pyridinyl)methylamino]methyl]phenyl]methanol (PubChem CID 107230962) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is [4-[[(3-chloro-4-pyridinyl)methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(3-chloro-4-pyridinyl)methylamino]methyl]phenyl]methanol
PubChem CID107230962
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name[4-[[(3-chloro-4-pyridinyl)methylamino]methyl]phenyl]methanol
SMILESOCc1ccc(CNCc2ccncc2Cl)cc1
InChIInChI=1S/C14H15ClN2O/c15-14-9-16-6-5-13(14)8-17-7-11-1-3-12(10-18)4-2-11/h1-6,9,17-18H,7-8,10H2
InChIKeyWEBFPGZWBMUVRY-UHFFFAOYSA-N
XLogP2.52
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(3-chloro-4-pyridinyl)methyl]pentan-1-amine
CID 107319957
2-[1-[[(3-chloro-4-pyridinyl)methylamino]methyl]cyclopropyl]ethanol
CID 114756635
N-[(2-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 6459303
(3-chloro-4-pyridinyl)methylcarbamic acid
CID 176952397
N-[(3-chloro-4-pyridinyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905612
3-[[(3-chloro-4-pyridinyl)methylamino]methyl]oxolan-3-ol
CID 106100683
[1-[(3-chloro-4-pyridinyl)methyl]indol-5-yl]methanol
CID 102912875
2-(5-bromothiophen-2-yl)-N-[(3-chloro-4-pyridinyl)methyl]ethanamine
CID 114140449
1-(3-chloro-4-pyridinyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82737650
N-[(3-chloro-4-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295804
N-[(2-chlorophenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 154879239
3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 114143498

Frequently Asked Questions

What is the IUPAC name of [4-[[(3-chloro-4-pyridinyl)methylamino]methyl]phenyl]methanol?
The IUPAC name of [4-[[(3-chloro-4-pyridinyl)methylamino]methyl]phenyl]methanol (CID 107230962) is [4-[[(3-chloro-4-pyridinyl)methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(3-chloro-4-pyridinyl)methylamino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(3-chloro-4-pyridinyl)methylamino]methyl]phenyl]methanol is OCc1ccc(CNCc2ccncc2Cl)cc1.
What is the InChIKey of [4-[[(3-chloro-4-pyridinyl)methylamino]methyl]phenyl]methanol?
The InChIKey is WEBFPGZWBMUVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-14-9-16-6-5-13(14)8-17-7-11-1-3-12(10-18)4-2-11/h1-6,9,17-18H,7-8,10H2.
What are the key properties of [4-[[(3-chloro-4-pyridinyl)methylamino]methyl]phenyl]methanol?
[4-[[(3-chloro-4-pyridinyl)methylamino]methyl]phenyl]methanol has a molecular weight of 262.74 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3-chloro-4-pyridinyl)methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 107230962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).