N-(2,6-difluorophenyl)-4-propylcycloheptan-1-amine

C16H23F2N — CID 65086344

IUPACN-(2,6-difluorophenyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(Nc2c(F)cccc2F)CC1
InChIInChI=1S/C16H23F2N/c1-2-5-12-6-3-7-13(11-10-12)19-16-14(17)8-4-9-15(16)18/h4,8-9,12-13,19H,2-3,5-7,10-11H2,1H3
InChIKeyZHRRJHZTCDOZJK-UHFFFAOYSA-N
MW267.36 g/mol
LogP5.13
Rot. Bonds4

About N-(2,6-difluorophenyl)-4-propylcycloheptan-1-amine

N-(2,6-difluorophenyl)-4-propylcycloheptan-1-amine (PubChem CID 65086344) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-propylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-propylcycloheptan-1-amine
PubChem CID65086344
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC NameN-(2,6-difluorophenyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(Nc2c(F)cccc2F)CC1
InChIInChI=1S/C16H23F2N/c1-2-5-12-6-3-7-13(11-10-12)19-16-14(17)8-4-9-15(16)18/h4,8-9,12-13,19H,2-3,5-7,10-11H2,1H3
InChIKeyZHRRJHZTCDOZJK-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.36
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-fluoro-2-methylphenyl)-4-propylcycloheptan-1-amine
CID 65091174
4-tert-butyl-N-(2,6-difluorophenyl)cycloheptan-1-amine
CID 65090003
N-[1-(2,6-difluorophenyl)ethyl]-4-propylcycloheptan-1-amine
CID 65091642
3-fluoro-2-methyl-N-(4-propylcyclohexyl)aniline
CID 63455039
3-fluoro-N-(4-propylcyclohexyl)pyridin-2-amine
CID 62733989
N-(2,6-difluorophenyl)cycloheptanamine
CID 28974538
2-chloro-4-methyl-N-(4-propylcycloheptyl)pyridin-3-amine
CID 65485314
N-(3-chloro-2-methylphenyl)-4-propylcycloheptan-1-amine
CID 65087052
N-(2-chloro-4-fluorophenyl)-4-propylcycloheptan-1-amine
CID 65086683
N-(2,6-difluorophenyl)-1-ethylazepan-4-amine
CID 65074729
3-methyl-2-N-(4-propylcyclohexyl)benzene-1,2-diamine
CID 115550273
2-fluoro-6-[(4-propylcyclohexyl)amino]benzenecarbothioamide
CID 79513531

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-propylcycloheptan-1-amine?
The IUPAC name of N-(2,6-difluorophenyl)-4-propylcycloheptan-1-amine (CID 65086344) is N-(2,6-difluorophenyl)-4-propylcycloheptan-1-amine.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-propylcycloheptan-1-amine?
The canonical SMILES for N-(2,6-difluorophenyl)-4-propylcycloheptan-1-amine is CCCC1CCCC(Nc2c(F)cccc2F)CC1.
What is the InChIKey of N-(2,6-difluorophenyl)-4-propylcycloheptan-1-amine?
The InChIKey is ZHRRJHZTCDOZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-2-5-12-6-3-7-13(11-10-12)19-16-14(17)8-4-9-15(16)18/h4,8-9,12-13,19H,2-3,5-7,10-11H2,1H3.
What are the key properties of N-(2,6-difluorophenyl)-4-propylcycloheptan-1-amine?
N-(2,6-difluorophenyl)-4-propylcycloheptan-1-amine has a molecular weight of 267.36 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-4-propylcycloheptan-1-amine is sourced from PubChem (CID 65086344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).