1-[1-(3-fluorophenyl)cyclohexyl]-N,N-dimethylmethanamine

C15H22FN — CID 53321082

IUPAC1-[1-(3-fluorophenyl)cyclohexyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1(c2cccc(F)c2)CCCCC1
InChIInChI=1S/C15H22FN/c1-17(2)12-15(9-4-3-5-10-15)13-7-6-8-14(16)11-13/h6-8,11H,3-5,9-10,12H2,1-2H3
InChIKeyYEMZPAKBIRTBDG-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.59
Rot. Bonds3

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

1-[1-(3-fluorophenyl)cyclohexyl]-N,N-dimethylmethanamine (PubChem CID 53321082) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)cyclohexyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)cyclohexyl]-N,N-dimethylmethanamine
PubChem CID53321082
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name1-[1-(3-fluorophenyl)cyclohexyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1(c2cccc(F)c2)CCCCC1
InChIInChI=1S/C15H22FN/c1-17(2)12-15(9-4-3-5-10-15)13-7-6-8-14(16)11-13/h6-8,11H,3-5,9-10,12H2,1-2H3
InChIKeyYEMZPAKBIRTBDG-UHFFFAOYSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine
CID 53318453
1-[1-(4-fluorophenyl)cyclohexyl]-N,N-dimethylmethanamine
CID 53324333
1-[1-(3,4-difluorophenyl)cyclohexyl]-N,N-dimethylmethanamine
CID 53321081
N,N-dimethyl-1-(1-phenylcyclopentyl)methanamine
CID 646439
[3-[1-[(dimethylamino)methyl]cyclopentyl]phenyl]methanamine
CID 115039154
1-[1-(4-fluoronaphthalen-2-yl)cyclohexyl]-N,N-dimethylmethanamine
CID 69306980
N-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine
CID 62596617
1-fluoro-3-[1-(isocyanomethyl)cyclobutyl]benzene
CID 105443630
N,N-dimethyl-1-[1-(4-methylphenyl)cyclopentyl]methanamine
CID 21365310
N-[[2-(3-fluorophenyl)spiro[3.5]nonan-2-yl]methyl]ethanamine
CID 65007059
4-[1-[(dimethylamino)methyl]cyclopentyl]aniline
CID 115030998
1-[1-(difluoromethyl)cyclohexyl]-3-fluorobenzene
CID 84726019

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)cyclohexyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(3-fluorophenyl)cyclohexyl]-N,N-dimethylmethanamine (CID 53321082) is 1-[1-(3-fluorophenyl)cyclohexyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(3-fluorophenyl)cyclohexyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(3-fluorophenyl)cyclohexyl]-N,N-dimethylmethanamine is CN(C)CC1(c2cccc(F)c2)CCCCC1.
What is the InChIKey of 1-[1-(3-fluorophenyl)cyclohexyl]-N,N-dimethylmethanamine?
The InChIKey is YEMZPAKBIRTBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-17(2)12-15(9-4-3-5-10-15)13-7-6-8-14(16)11-13/h6-8,11H,3-5,9-10,12H2,1-2H3.
What are the key properties of 1-[1-(3-fluorophenyl)cyclohexyl]-N,N-dimethylmethanamine?
1-[1-(3-fluorophenyl)cyclohexyl]-N,N-dimethylmethanamine has a molecular weight of 235.35 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)cyclohexyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 53321082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).