N-(3-fluoro-5-methylphenyl)-4,4-dimethylcycloheptan-1-amine

C16H24FN — CID 79055105

IUPACN-(3-fluoro-5-methylphenyl)-4,4-dimethylcycloheptan-1-amine
SMILESCc1cc(F)cc(NC2CCCC(C)(C)CC2)c1
InChIInChI=1S/C16H24FN/c1-12-9-13(17)11-15(10-12)18-14-5-4-7-16(2,3)8-6-14/h9-11,14,18H,4-8H2,1-3H3
InChIKeyLTIQGNUTHPJFQR-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.90
Rot. Bonds2

About N-(3-fluoro-5-methylphenyl)-4,4-dimethylcycloheptan-1-amine

N-(3-fluoro-5-methylphenyl)-4,4-dimethylcycloheptan-1-amine (PubChem CID 79055105) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-(3-fluoro-5-methylphenyl)-4,4-dimethylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(3-fluoro-5-methylphenyl)-4,4-dimethylcycloheptan-1-amine
PubChem CID79055105
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-(3-fluoro-5-methylphenyl)-4,4-dimethylcycloheptan-1-amine
SMILESCc1cc(F)cc(NC2CCCC(C)(C)CC2)c1
InChIInChI=1S/C16H24FN/c1-12-9-13(17)11-15(10-12)18-14-5-4-7-16(2,3)8-6-14/h9-11,14,18H,4-8H2,1-3H3
InChIKeyLTIQGNUTHPJFQR-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,3-dimethylcyclopentyl)-3,5-difluoroaniline
CID 80693379
N-(3-fluoro-5-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 79055016
4-N-(3-fluoro-5-methylphenyl)cyclohexane-1,4-diamine
CID 79740975
3-fluoro-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 79055270
N-(3-fluoro-5-methylphenyl)-5,5-dimethylthian-3-amine
CID 79958988
3-chloro-N-(3,3-dimethylcyclopentyl)-5-fluoroaniline
CID 107363930
N-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65084024
N-[3-chloro-5-(trifluoromethyl)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 116698868
N-(4-iodophenyl)-4,4-dimethylcycloheptan-1-amine
CID 65083964
6-bromo-N-(4,4-dimethylcycloheptyl)pyridin-3-amine
CID 114051596
1-N-(3-fluoro-5-methylphenyl)cyclobutane-1,3-diamine
CID 80562430
5-[(4,4-dimethylcycloheptyl)amino]-2-fluorobenzoic acid
CID 65084402

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-methylphenyl)-4,4-dimethylcycloheptan-1-amine?
The IUPAC name of N-(3-fluoro-5-methylphenyl)-4,4-dimethylcycloheptan-1-amine (CID 79055105) is N-(3-fluoro-5-methylphenyl)-4,4-dimethylcycloheptan-1-amine.
What is the SMILES notation for N-(3-fluoro-5-methylphenyl)-4,4-dimethylcycloheptan-1-amine?
The canonical SMILES for N-(3-fluoro-5-methylphenyl)-4,4-dimethylcycloheptan-1-amine is Cc1cc(F)cc(NC2CCCC(C)(C)CC2)c1.
What is the InChIKey of N-(3-fluoro-5-methylphenyl)-4,4-dimethylcycloheptan-1-amine?
The InChIKey is LTIQGNUTHPJFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-12-9-13(17)11-15(10-12)18-14-5-4-7-16(2,3)8-6-14/h9-11,14,18H,4-8H2,1-3H3.
What are the key properties of N-(3-fluoro-5-methylphenyl)-4,4-dimethylcycloheptan-1-amine?
N-(3-fluoro-5-methylphenyl)-4,4-dimethylcycloheptan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methylphenyl)-4,4-dimethylcycloheptan-1-amine is sourced from PubChem (CID 79055105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).