N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine

C14H19F2N — CID 65081163

IUPACN-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine
SMILESCC1CCCC(Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H19F2N/c1-10-3-2-4-11(6-5-10)17-12-7-8-13(15)14(16)9-12/h7-11,17H,2-6H2,1H3
InChIKeyZCJAPNHESOUILC-UHFFFAOYSA-N
MW239.31 g/mol
LogP4.35
Rot. Bonds2

About N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine

N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine (PubChem CID 65081163) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine
PubChem CID65081163
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine
SMILESCC1CCCC(Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H19F2N/c1-10-3-2-4-11(6-5-10)17-12-7-8-13(15)14(16)9-12/h7-11,17H,2-6H2,1H3
InChIKeyZCJAPNHESOUILC-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine
CID 104776025
N-(3,4-dichlorophenyl)-4-methylcycloheptan-1-amine
CID 65080891
3-fluoro-4-methoxy-N-(4-methylcyclohexyl)aniline
CID 43380637
3,4-difluoro-N-(3-methylcyclobutyl)aniline
CID 104860122
N-(3-bromo-4-methylphenyl)-4-methylcycloheptan-1-amine
CID 65080494
N-(3,5-dichloro-4-fluorophenyl)-4-methylcycloheptan-1-amine
CID 107572556
2,2-difluoro-N-(4-methylcycloheptyl)-1,3-benzodioxol-5-amine
CID 65080837
2-fluoro-4-[(4-methylcyclohexyl)amino]benzenecarbothioamide
CID 113295793
N-cyclopropyl-4-fluoro-3-methylaniline
CID 83694970
N-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline
CID 64776370
N-(2,5-dimethylcyclohexyl)-3,4-difluoroaniline
CID 64776575
3,4,5-trifluoro-N-(3-methylcyclohexyl)aniline
CID 62810702

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine?
The IUPAC name of N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine (CID 65081163) is N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine is CC1CCCC(Nc2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine?
The InChIKey is ZCJAPNHESOUILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-10-3-2-4-11(6-5-10)17-12-7-8-13(15)14(16)9-12/h7-11,17H,2-6H2,1H3.
What are the key properties of N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine?
N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine has a molecular weight of 239.31 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine is sourced from PubChem (CID 65081163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).