[2-chloro-4-[ethyl(pyridin-3-ylmethyl)amino]phenyl]methanol

C15H17ClN2O — CID 155811296

IUPAC[2-chloro-4-[ethyl(pyridin-3-ylmethyl)amino]phenyl]methanol
SMILESCCN(Cc1cccnc1)c1ccc(CO)c(Cl)c1
InChIInChI=1S/C15H17ClN2O/c1-2-18(10-12-4-3-7-17-9-12)14-6-5-13(11-19)15(16)8-14/h3-9,19H,2,10-11H2,1H3
InChIKeyADSVWIDBVMLPLE-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.25
Rot. Bonds5

About [2-chloro-4-[ethyl(pyridin-3-ylmethyl)amino]phenyl]methanol

[2-chloro-4-[ethyl(pyridin-3-ylmethyl)amino]phenyl]methanol (PubChem CID 155811296) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is [2-chloro-4-[ethyl(pyridin-3-ylmethyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-4-[ethyl(pyridin-3-ylmethyl)amino]phenyl]methanol
PubChem CID155811296
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name[2-chloro-4-[ethyl(pyridin-3-ylmethyl)amino]phenyl]methanol
SMILESCCN(Cc1cccnc1)c1ccc(CO)c(Cl)c1
InChIInChI=1S/C15H17ClN2O/c1-2-18(10-12-4-3-7-17-9-12)14-6-5-13(11-19)15(16)8-14/h3-9,19H,2,10-11H2,1H3
InChIKeyADSVWIDBVMLPLE-UHFFFAOYSA-N
XLogP3.25
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.25
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

[2-chloro-4-[ethyl-[(2-fluorophenyl)methyl]amino]phenyl]methanol
CID 155811634
4-(aminomethyl)-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline
CID 62944857
2-chloro-4-[2-hydroxyethyl(pyridin-3-ylmethyl)amino]benzonitrile
CID 71976590
[4-[bis[(4-fluorophenyl)methyl]amino]-2-chlorophenyl]methanol
CID 155814402
[3-[benzyl(ethyl)amino]-4-pyridinyl]methanol
CID 105066690
3-[4-(chloromethyl)-3-methyl-N-(pyridin-3-ylmethyl)anilino]propanenitrile
CID 62129965
[2-[methyl(pyridin-3-ylmethyl)amino]-3-pyridinyl]methanol
CID 61255832
[3-fluoro-2-[methyl(pyridin-3-ylmethyl)amino]phenyl]methanol
CID 114067410
4-(ethylaminomethyl)-N,3-dimethyl-N-(pyridin-3-ylmethyl)aniline
CID 62135360
N,N-diethyl-4-[(pyridin-3-ylmethylamino)methyl]aniline
CID 1075944
[2-bromo-4-[ethyl-[(4-fluorophenyl)methyl]amino]phenyl]methanol
CID 155812949
N-[(2,4-dichlorophenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 168853808

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[ethyl(pyridin-3-ylmethyl)amino]phenyl]methanol?
The IUPAC name of [2-chloro-4-[ethyl(pyridin-3-ylmethyl)amino]phenyl]methanol (CID 155811296) is [2-chloro-4-[ethyl(pyridin-3-ylmethyl)amino]phenyl]methanol.
What is the SMILES notation for [2-chloro-4-[ethyl(pyridin-3-ylmethyl)amino]phenyl]methanol?
The canonical SMILES for [2-chloro-4-[ethyl(pyridin-3-ylmethyl)amino]phenyl]methanol is CCN(Cc1cccnc1)c1ccc(CO)c(Cl)c1.
What is the InChIKey of [2-chloro-4-[ethyl(pyridin-3-ylmethyl)amino]phenyl]methanol?
The InChIKey is ADSVWIDBVMLPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-2-18(10-12-4-3-7-17-9-12)14-6-5-13(11-19)15(16)8-14/h3-9,19H,2,10-11H2,1H3.
What are the key properties of [2-chloro-4-[ethyl(pyridin-3-ylmethyl)amino]phenyl]methanol?
[2-chloro-4-[ethyl(pyridin-3-ylmethyl)amino]phenyl]methanol has a molecular weight of 276.77 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[ethyl(pyridin-3-ylmethyl)amino]phenyl]methanol is sourced from PubChem (CID 155811296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).