N-[2-(2-fluorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine

C16H24FN — CID 79828913

IUPACN-[2-(2-fluorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1NCCc1ccccc1F
InChIInChI=1S/C16H24FN/c1-16(2)11-6-5-9-15(16)18-12-10-13-7-3-4-8-14(13)17/h3-4,7-8,15,18H,5-6,9-12H2,1-2H3
InChIKeyLASVABHKQPEHBX-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.93
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine

N-[2-(2-fluorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine (PubChem CID 79828913) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
PubChem CID79828913
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1NCCc1ccccc1F
InChIInChI=1S/C16H24FN/c1-16(2)11-6-5-9-15(16)18-12-10-13-7-3-4-8-14(13)17/h3-4,7-8,15,18H,5-6,9-12H2,1-2H3
InChIKeyLASVABHKQPEHBX-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79861181
N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79828848
N-[2-(2-fluorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 79917839
N-(2,2-dimethylcyclohexyl)-2-fluoroaniline
CID 79828760
N-[(2-cyclopropylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79984326
2,2-dimethyl-N-(3-phenylpropyl)cyclopentan-1-amine
CID 79864655
N-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79835366
2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79828821
3-[[(2,2-dimethylcyclohexyl)amino]methyl]-4-fluorobenzoic acid
CID 107453074
N-[(2-ethoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79861979
2-[[(2,2-dimethylcyclohexyl)amino]methyl]-5-methoxyphenol
CID 79861822
2,2-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
CID 80681012

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine (CID 79828913) is N-[2-(2-fluorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine is CC1(C)CCCCC1NCCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine?
The InChIKey is LASVABHKQPEHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-16(2)11-6-5-9-15(16)18-12-10-13-7-3-4-8-14(13)17/h3-4,7-8,15,18H,5-6,9-12H2,1-2H3.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine?
N-[2-(2-fluorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79828913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).