2-[2-(3-fluoro-5-methylphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine

C18H28FN — CID 79705337

IUPAC2-[2-(3-fluoro-5-methylphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine
SMILESCNC1CC(C)CCC1C(C)(C)c1cc(C)cc(F)c1
InChIInChI=1S/C18H28FN/c1-12-6-7-16(17(10-12)20-5)18(3,4)14-8-13(2)9-15(19)11-14/h8-9,11-12,16-17,20H,6-7,10H2,1-5H3
InChIKeyJWVSLOFYFCSTRU-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.44
Rot. Bonds3

About 2-[2-(3-fluoro-5-methylphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine

2-[2-(3-fluoro-5-methylphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine (PubChem CID 79705337) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is 2-[2-(3-fluoro-5-methylphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[2-(3-fluoro-5-methylphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine
PubChem CID79705337
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC Name2-[2-(3-fluoro-5-methylphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine
SMILESCNC1CC(C)CCC1C(C)(C)c1cc(C)cc(F)c1
InChIInChI=1S/C18H28FN/c1-12-6-7-16(17(10-12)20-5)18(3,4)14-8-13(2)9-15(19)11-14/h8-9,11-12,16-17,20H,6-7,10H2,1-5H3
InChIKeyJWVSLOFYFCSTRU-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Delucemine
CID 156421
1-(1-(3,4-difluorophenyl)cyclohexyl)-N-methylmethanamine
CID 53318452
1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 58954797
N-methyl-1-(1-(3-(trifluoromethyl)phenyl)cyclohexyl)methanamine
CID 58954931
1-(1-(3-fluorophenyl)cyclohexyl)-N-methylmethanamine
CID 58954951
N-methyl-2-phenylcyclohexan-1-amine
CID 15365365
Delucemine Hydrochloride
CID 156420
2-[2-Cyclohexyl-2-(4-fluorophenyl)ethyl]piperidine
CID 137652493
N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclohexanamine
CID 153338438
N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine
CID 153338455
N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]cyclopentanamine
CID 153338544
N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclopentanamine
CID 155680906

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluoro-5-methylphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[2-(3-fluoro-5-methylphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine (CID 79705337) is 2-[2-(3-fluoro-5-methylphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[2-(3-fluoro-5-methylphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[2-(3-fluoro-5-methylphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine is CNC1CC(C)CCC1C(C)(C)c1cc(C)cc(F)c1.
What is the InChIKey of 2-[2-(3-fluoro-5-methylphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine?
The InChIKey is JWVSLOFYFCSTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-12-6-7-16(17(10-12)20-5)18(3,4)14-8-13(2)9-15(19)11-14/h8-9,11-12,16-17,20H,6-7,10H2,1-5H3.
What are the key properties of 2-[2-(3-fluoro-5-methylphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine?
2-[2-(3-fluoro-5-methylphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine has a molecular weight of 277.43 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 2-[2-(3-fluoro-5-methylphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79705337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).