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

C16H18ClFN2O — CID 111757482

IUPAC2-[(6-chloro-3-pyridinyl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1C(O)CN(C)Cc1ccc(Cl)nc1
InChIInChI=1S/C16H18ClFN2O/c1-11-7-13(18)4-5-14(11)15(21)10-20(2)9-12-3-6-16(17)19-8-12/h3-8,15,21H,9-10H2,1-2H3
InChIKeyORUFMHGGHHSCCR-UHFFFAOYSA-N
MW308.78 g/mol
LogP3.35
Rot. Bonds5

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

2-[(6-chloro-3-pyridinyl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol (PubChem CID 111757482) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol
PubChem CID111757482
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC Name2-[(6-chloro-3-pyridinyl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1C(O)CN(C)Cc1ccc(Cl)nc1
InChIInChI=1S/C16H18ClFN2O/c1-11-7-13(18)4-5-14(11)15(21)10-20(2)9-12-3-6-16(17)19-8-12/h3-8,15,21H,9-10H2,1-2H3
InChIKeyORUFMHGGHHSCCR-UHFFFAOYSA-N
XLogP3.35
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 110009988
N-[(6-chloro-3-pyridinyl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 60719313
1-(4-fluoro-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol
CID 111564990
1-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol
CID 111565148
N-[(6-chloro-3-pyridinyl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 28802343
2-[cyclobutylmethyl(methyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565104
4-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-methylamino]methyl]benzonitrile
CID 110897867
2-(4-chloro-3-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 107883556
N-tert-butyl-2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]acetamide
CID 111564900
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115345951
1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol (CID 111757482) is 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol is Cc1cc(F)ccc1C(O)CN(C)Cc1ccc(Cl)nc1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol?
The InChIKey is ORUFMHGGHHSCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c1-11-7-13(18)4-5-14(11)15(21)10-20(2)9-12-3-6-16(17)19-8-12/h3-8,15,21H,9-10H2,1-2H3.
What are the key properties of 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol?
2-[(6-chloro-3-pyridinyl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol has a molecular weight of 308.78 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 111757482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).