1-[1-(3,4-difluorophenyl)cyclohexyl]-N,N-dimethylmethanamine

C15H21F2N — CID 53321081

IUPAC1-[1-(3,4-difluorophenyl)cyclohexyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1(c2ccc(F)c(F)c2)CCCCC1
InChIInChI=1S/C15H21F2N/c1-18(2)11-15(8-4-3-5-9-15)12-6-7-13(16)14(17)10-12/h6-7,10H,3-5,8-9,11H2,1-2H3
InChIKeyPUCWXLYHLYMUCG-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.73
Rot. Bonds3

About 1-[1-(3,4-difluorophenyl)cyclohexyl]-N,N-dimethylmethanamine

1-[1-(3,4-difluorophenyl)cyclohexyl]-N,N-dimethylmethanamine (PubChem CID 53321081) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[1-(3,4-difluorophenyl)cyclohexyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(3,4-difluorophenyl)cyclohexyl]-N,N-dimethylmethanamine
PubChem CID53321081
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name1-[1-(3,4-difluorophenyl)cyclohexyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1(c2ccc(F)c(F)c2)CCCCC1
InChIInChI=1S/C15H21F2N/c1-18(2)11-15(8-4-3-5-9-15)12-6-7-13(16)14(17)10-12/h6-7,10H,3-5,8-9,11H2,1-2H3
InChIKeyPUCWXLYHLYMUCG-UHFFFAOYSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(4-fluorophenyl)cyclohexyl]-N,N-dimethylmethanamine
CID 53324333
1-[1-(3-fluorophenyl)cyclohexyl]-N,N-dimethylmethanamine
CID 53321082
1-[1-(4-fluoronaphthalen-2-yl)cyclohexyl]-N,N-dimethylmethanamine
CID 69306980
1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 169436266
N,N-dimethyl-1-[1-(4-methylphenyl)cyclopentyl]methanamine
CID 21365310
N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine
CID 53318453
4-[1-[(dimethylamino)methyl]cyclopentyl]aniline
CID 115030998
1-[1-(4-chlorophenyl)cyclopropyl]-N,N-dimethylmethanamine
CID 21365272
N,N-dimethyl-1-(1-phenylcyclopentyl)methanamine
CID 646439
N,N-dimethyl-1-[1-(4-methylphenyl)cyclobutyl]methanamine
CID 59020082
1-[1-(4-bromophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 115049926
[3-[1-[(dimethylamino)methyl]cyclopentyl]phenyl]methanamine
CID 115039154

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-difluorophenyl)cyclohexyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(3,4-difluorophenyl)cyclohexyl]-N,N-dimethylmethanamine (CID 53321081) is 1-[1-(3,4-difluorophenyl)cyclohexyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(3,4-difluorophenyl)cyclohexyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(3,4-difluorophenyl)cyclohexyl]-N,N-dimethylmethanamine is CN(C)CC1(c2ccc(F)c(F)c2)CCCCC1.
What is the InChIKey of 1-[1-(3,4-difluorophenyl)cyclohexyl]-N,N-dimethylmethanamine?
The InChIKey is PUCWXLYHLYMUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-18(2)11-15(8-4-3-5-9-15)12-6-7-13(16)14(17)10-12/h6-7,10H,3-5,8-9,11H2,1-2H3.
What are the key properties of 1-[1-(3,4-difluorophenyl)cyclohexyl]-N,N-dimethylmethanamine?
1-[1-(3,4-difluorophenyl)cyclohexyl]-N,N-dimethylmethanamine has a molecular weight of 253.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-difluorophenyl)cyclohexyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 53321081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).