2-[(6-chloro-3-pyridinyl)methylamino]-1-(4-methylphenyl)ethanol

C15H17ClN2O — CID 111476645

IUPAC2-[(6-chloro-3-pyridinyl)methylamino]-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)CNCc2ccc(Cl)nc2)cc1
InChIInChI=1S/C15H17ClN2O/c1-11-2-5-13(6-3-11)14(19)10-17-8-12-4-7-15(16)18-9-12/h2-7,9,14,17,19H,8,10H2,1H3
InChIKeyVUMBSTABZQBKFW-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.87
Rot. Bonds5

About 2-[(6-chloro-3-pyridinyl)methylamino]-1-(4-methylphenyl)ethanol

2-[(6-chloro-3-pyridinyl)methylamino]-1-(4-methylphenyl)ethanol (PubChem CID 111476645) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)methylamino]-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)methylamino]-1-(4-methylphenyl)ethanol
PubChem CID111476645
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-[(6-chloro-3-pyridinyl)methylamino]-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)CNCc2ccc(Cl)nc2)cc1
InChIInChI=1S/C15H17ClN2O/c1-11-2-5-13(6-3-11)14(19)10-17-8-12-4-7-15(16)18-9-12/h2-7,9,14,17,19H,8,10H2,1H3
InChIKeyVUMBSTABZQBKFW-UHFFFAOYSA-N
XLogP2.87
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(6-chloro-3-pyridinyl)-2-[2-(4-methylphenyl)ethylamino]ethanol;ethane
CID 144822008
2-[(6-chloro-3-pyridinyl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol
CID 111916706
2-[(6-chloro-3-pyridinyl)methylamino]-1-(2,6-difluorophenyl)ethanol
CID 110898133
2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)ethanol
CID 82312256
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(6-chloro-3-pyridinyl)methyl]urea
CID 110900450
1-N-[(6-chloro-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115683677
1-(4-methylphenyl)-2-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethanol
CID 110912905
(1R)-2-(ethylamino)-1-(4-methylphenyl)ethanol
CID 39237107
2-(benzylamino)-1-(6-methyl-3-pyridinyl)ethanol;dihydrochloride
CID 11587721
1-(4-chlorophenyl)-2-[(3-methylphenyl)methylamino]ethanol
CID 60728914
2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol
CID 104755790
1-(4-fluorophenyl)-2-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methylamino]ethanol
CID 119047886

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)methylamino]-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)methylamino]-1-(4-methylphenyl)ethanol (CID 111476645) is 2-[(6-chloro-3-pyridinyl)methylamino]-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)methylamino]-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)methylamino]-1-(4-methylphenyl)ethanol is Cc1ccc(C(O)CNCc2ccc(Cl)nc2)cc1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)methylamino]-1-(4-methylphenyl)ethanol?
The InChIKey is VUMBSTABZQBKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-11-2-5-13(6-3-11)14(19)10-17-8-12-4-7-15(16)18-9-12/h2-7,9,14,17,19H,8,10H2,1H3.
What are the key properties of 2-[(6-chloro-3-pyridinyl)methylamino]-1-(4-methylphenyl)ethanol?
2-[(6-chloro-3-pyridinyl)methylamino]-1-(4-methylphenyl)ethanol has a molecular weight of 276.77 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)methylamino]-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 111476645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).