N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine

C16H23F2NO — CID 63456082

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine
SMILESCC1CCCCC1CNCc1ccccc1OC(F)F
InChIInChI=1S/C16H23F2NO/c1-12-6-2-3-7-13(12)10-19-11-14-8-4-5-9-15(14)20-16(17)18/h4-5,8-9,12-13,16,19H,2-3,6-7,10-11H2,1H3
InChIKeyOAWYUMVAFFNOQC-UHFFFAOYSA-N
MW283.36 g/mol
LogP4.20
Rot. Bonds6

About N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine

N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine (PubChem CID 63456082) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine
PubChem CID63456082
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine
SMILESCC1CCCCC1CNCc1ccccc1OC(F)F
InChIInChI=1S/C16H23F2NO/c1-12-6-2-3-7-13(12)10-19-11-14-8-4-5-9-15(14)20-16(17)18/h4-5,8-9,12-13,16,19H,2-3,6-7,10-11H2,1H3
InChIKeyOAWYUMVAFFNOQC-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylcyclohexyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 63453619
1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 43298345
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 104791705
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine
CID 63277687
1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 63455912
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855904
2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592704
2-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile
CID 114017972
2-[2-[[(2-methylcyclopentyl)methylamino]methyl]phenyl]acetic acid
CID 107418280
N-[2-[[(2-methylcyclohexyl)methylamino]methyl]phenyl]acetamide
CID 66419232
1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine
CID 60711287
methyl 2-[[(2-methylcyclopentyl)methylamino]methyl]benzoate
CID 107417154

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine (CID 63456082) is N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine is CC1CCCCC1CNCc1ccccc1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine?
The InChIKey is OAWYUMVAFFNOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-12-6-2-3-7-13(12)10-19-11-14-8-4-5-9-15(14)20-16(17)18/h4-5,8-9,12-13,16,19H,2-3,6-7,10-11H2,1H3.
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine?
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine has a molecular weight of 283.36 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine is sourced from PubChem (CID 63456082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).