N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine

C16H23F2N — CID 43223869

IUPACN-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
SMILESCC(NC1C(C)CCCC1C)c1ccc(F)c(F)c1
InChIInChI=1S/C16H23F2N/c1-10-5-4-6-11(2)16(10)19-12(3)13-7-8-14(17)15(18)9-13/h7-12,16,19H,4-6H2,1-3H3
InChIKeyWBROXTIWHOWIGH-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.44
Rot. Bonds3

About N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine

N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine (PubChem CID 43223869) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
PubChem CID43223869
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
SMILESCC(NC1C(C)CCCC1C)c1ccc(F)c(F)c1
InChIInChI=1S/C16H23F2N/c1-10-5-4-6-11(2)16(10)19-12(3)13-7-8-14(17)15(18)9-13/h7-12,16,19H,4-6H2,1-3H3
InChIKeyWBROXTIWHOWIGH-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]cycloheptanamine
CID 43081886
2,6-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81350260
N-[1-(2,6-difluorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 63449012
N-[1-(3,4-difluorophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 65083844
N-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115649937
N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine
CID 43216007
N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 81376200
N-[1-(3,4-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 65044459
4-[bromo-(2-methylcyclopentyl)methyl]-1,2-difluorobenzene
CID 107182232
1-(3,4-difluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 55192396
N-[1-(3,4-difluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43780431
N-[1-(furan-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 115713244

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine (CID 43223869) is N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine is CC(NC1C(C)CCCC1C)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine?
The InChIKey is WBROXTIWHOWIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-10-5-4-6-11(2)16(10)19-12(3)13-7-8-14(17)15(18)9-13/h7-12,16,19H,4-6H2,1-3H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine?
N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine has a molecular weight of 267.36 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine is sourced from PubChem (CID 43223869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).