[2-chloro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol

C14H15ClN2O — CID 114064232

IUPAC[2-chloro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol
SMILESCN(Cc1ccccn1)c1ccc(CO)c(Cl)c1
InChIInChI=1S/C14H15ClN2O/c1-17(9-12-4-2-3-7-16-12)13-6-5-11(10-18)14(15)8-13/h2-8,18H,9-10H2,1H3
InChIKeyICTIVCCCVHMNOV-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.86
Rot. Bonds4

About [2-chloro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol

[2-chloro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol (PubChem CID 114064232) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is [2-chloro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol
PubChem CID114064232
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name[2-chloro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol
SMILESCN(Cc1ccccn1)c1ccc(CO)c(Cl)c1
InChIInChI=1S/C14H15ClN2O/c1-17(9-12-4-2-3-7-16-12)13-6-5-11(10-18)14(15)8-13/h2-8,18H,9-10H2,1H3
InChIKeyICTIVCCCVHMNOV-UHFFFAOYSA-N
XLogP2.86
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-(hydroxymethyl)-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 107090630
3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 75515545
1-[2-amino-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanone
CID 104528407
[3,5-difluoro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol
CID 63075487
N-methyl-2-(methylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-4-amine
CID 62282399
4-[methyl(pyridin-2-ylmethyl)amino]pyridine-2-carboxamide
CID 171327108
[6-[methyl(pyridin-2-ylmethyl)amino]pyrazin-2-yl]methanol
CID 66467294
5-chloro-4-(ethylaminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 114925592
2-[methyl(pyridin-2-ylmethyl)amino]phenol
CID 100991764
1-[4-[methyl(pyridin-2-ylmethyl)amino]-2-nitrophenyl]ethanone
CID 104529552
4-chloro-N-methyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
CID 62141726
(1R)-1-[5-[methyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938385

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol?
The IUPAC name of [2-chloro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol (CID 114064232) is [2-chloro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol.
What is the SMILES notation for [2-chloro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol?
The canonical SMILES for [2-chloro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol is CN(Cc1ccccn1)c1ccc(CO)c(Cl)c1.
What is the InChIKey of [2-chloro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol?
The InChIKey is ICTIVCCCVHMNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-17(9-12-4-2-3-7-16-12)13-6-5-11(10-18)14(15)8-13/h2-8,18H,9-10H2,1H3.
What are the key properties of [2-chloro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol?
[2-chloro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol has a molecular weight of 262.74 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol is sourced from PubChem (CID 114064232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).