N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine

C15H20ClF2NO — CID 43433759

IUPACN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCc2cc(Cl)ccc2OC(F)F)C1
InChIInChI=1S/C15H20ClF2NO/c1-10-3-2-4-13(7-10)19-9-11-8-12(16)5-6-14(11)20-15(17)18/h5-6,8,10,13,15,19H,2-4,7,9H2,1H3
InChIKeyKGQWWQOBZHCFNT-UHFFFAOYSA-N
MW303.78 g/mol
LogP4.61
Rot. Bonds5

About N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine

N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine (PubChem CID 43433759) has the molecular formula C15H20ClF2NO and a molecular weight of 303.78 g/mol. Its IUPAC name is N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
PubChem CID43433759
Molecular FormulaC15H20ClF2NO
Molecular Weight303.78 g/mol
Exact Mass303.12
IUPAC NameN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCc2cc(Cl)ccc2OC(F)F)C1
InChIInChI=1S/C15H20ClF2NO/c1-10-3-2-4-13(7-10)19-9-11-8-12(16)5-6-14(11)20-15(17)18/h5-6,8,10,13,15,19H,2-4,7,9H2,1H3
InChIKeyKGQWWQOBZHCFNT-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.78
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]cyclohexan-1-ol
CID 43792265
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]thian-3-amine
CID 115676105
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylcyclohexan-1-amine
CID 43317436
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]thian-4-amine
CID 115615579
N-[(2-bromo-5-chlorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 66160263
4-chloro-2-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 43317707
N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 43082013
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43244054
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
3-methyl-N-[(2-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 43432544
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719785
N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43178807

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine (CID 43433759) is N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine is CC1CCCC(NCc2cc(Cl)ccc2OC(F)F)C1.
What is the InChIKey of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine?
The InChIKey is KGQWWQOBZHCFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF2NO/c1-10-3-2-4-13(7-10)19-9-11-8-12(16)5-6-14(11)20-15(17)18/h5-6,8,10,13,15,19H,2-4,7,9H2,1H3.
What are the key properties of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine?
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine has a molecular weight of 303.78 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 43433759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).