2-[(2-chloro-3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol

C14H19ClFNO — CID 102636615

IUPAC2-[(2-chloro-3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol
SMILESCN(Cc1cccc(F)c1Cl)C1CCCCC1O
InChIInChI=1S/C14H19ClFNO/c1-17(12-7-2-3-8-13(12)18)9-10-5-4-6-11(16)14(10)15/h4-6,12-13,18H,2-3,7-9H2,1H3
InChIKeyVTHVQCMICUCSQZ-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.21
Rot. Bonds3

About 2-[(2-chloro-3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol

2-[(2-chloro-3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol (PubChem CID 102636615) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 2-[(2-chloro-3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2-chloro-3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol
PubChem CID102636615
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name2-[(2-chloro-3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol
SMILESCN(Cc1cccc(F)c1Cl)C1CCCCC1O
InChIInChI=1S/C14H19ClFNO/c1-17(12-7-2-3-8-13(12)18)9-10-5-4-6-11(16)14(10)15/h4-6,12-13,18H,2-3,7-9H2,1H3
InChIKeyVTHVQCMICUCSQZ-UHFFFAOYSA-N
XLogP3.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-[methyl-[(2-methylphenyl)methyl]amino]cyclopentan-1-ol
CID 102734447
2-[(3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol
CID 60714854
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol
CID 102636476
1-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide
CID 19061841
2-[(5-chloro-2-nitrophenyl)methyl-methylamino]cyclohexan-1-ol
CID 102636666
2-(2-chloro-3-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanone
CID 115983535
methyl 2-[[(2-hydroxycyclohexyl)-methylamino]methyl]benzoate
CID 102632732
2-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]cyclohexan-1-ol
CID 102631680
2-bromo-N-[(2,6-difluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 102637204
2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol
CID 112653044
1-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclohexan-1-ol
CID 112652934
N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
CID 81453825

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(2-chloro-3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol (CID 102636615) is 2-[(2-chloro-3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(2-chloro-3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(2-chloro-3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol is CN(Cc1cccc(F)c1Cl)C1CCCCC1O.
What is the InChIKey of 2-[(2-chloro-3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol?
The InChIKey is VTHVQCMICUCSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-17(12-7-2-3-8-13(12)18)9-10-5-4-6-11(16)14(10)15/h4-6,12-13,18H,2-3,7-9H2,1H3.
What are the key properties of 2-[(2-chloro-3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol?
2-[(2-chloro-3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol has a molecular weight of 271.76 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102636615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).