N-[(3,4-difluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine

C15H21F2N — CID 64745038

IUPACN-[(3,4-difluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCc2ccc(F)c(F)c2)CC1C
InChIInChI=1S/C15H21F2N/c1-10-3-5-13(7-11(10)2)18-9-12-4-6-14(16)15(17)8-12/h4,6,8,10-11,13,18H,3,5,7,9H2,1-2H3
InChIKeyZTBVKVWABFEWSD-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.88
Rot. Bonds3

About N-[(3,4-difluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine

N-[(3,4-difluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine (PubChem CID 64745038) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
PubChem CID64745038
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC NameN-[(3,4-difluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCc2ccc(F)c(F)c2)CC1C
InChIInChI=1S/C15H21F2N/c1-10-3-5-13(7-11(10)2)18-9-12-4-6-14(16)15(17)8-12/h4,6,8,10-11,13,18H,3,5,7,9H2,1-2H3
InChIKeyZTBVKVWABFEWSD-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62396100
4-[[(3,4-dimethylcyclohexyl)amino]methyl]benzene-1,2-diol
CID 64738706
N-[(3,4-difluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103702377
3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64731806
N-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 65478000
[3-[[(3,4-dimethylcyclohexyl)amino]methyl]phenyl]methanol
CID 104854163
N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091754
N-[[4-(difluoromethoxy)phenyl]methyl]-3,4-dimethylcyclohexan-1-amine
CID 64733158
(2S,5R,8R,9R)-5-[(3,4-difluorophenyl)methylamino]-2,7,14,14-tetramethyltricyclo[8.7.0.011,15]heptadec-11(15)-ene-8,9-diol
CID 71216012
(1S,3S,4R)-3,4-dimethyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]cyclohexan-1-amine
CID 99624768
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64743242
[4-[(cyclopropylamino)methyl]-2-fluorophenyl]boronic acid
CID 56776658

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine (CID 64745038) is N-[(3,4-difluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine is CC1CCC(NCc2ccc(F)c(F)c2)CC1C.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine?
The InChIKey is ZTBVKVWABFEWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-10-3-5-13(7-11(10)2)18-9-12-4-6-14(16)15(17)8-12/h4,6,8,10-11,13,18H,3,5,7,9H2,1-2H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine?
N-[(3,4-difluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64745038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).