N-(2,6-difluorophenyl)cycloheptanamine

C13H17F2N — CID 28974538

IUPACN-(2,6-difluorophenyl)cycloheptanamine
SMILESFc1cccc(F)c1NC1CCCCCC1
InChIInChI=1S/C13H17F2N/c14-11-8-5-9-12(15)13(11)16-10-6-3-1-2-4-7-10/h5,8-10,16H,1-4,6-7H2
InChIKeyRIQWUMXWGDJIIO-UHFFFAOYSA-N
MW225.28 g/mol
LogP4.10
Rot. Bonds2

About N-(2,6-difluorophenyl)cycloheptanamine

N-(2,6-difluorophenyl)cycloheptanamine (PubChem CID 28974538) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)cycloheptanamine.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)cycloheptanamine
PubChem CID28974538
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC NameN-(2,6-difluorophenyl)cycloheptanamine
SMILESFc1cccc(F)c1NC1CCCCCC1
InChIInChI=1S/C13H17F2N/c14-11-8-5-9-12(15)13(11)16-10-6-3-1-2-4-7-10/h5,8-10,16H,1-4,6-7H2
InChIKeyRIQWUMXWGDJIIO-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,6-difluorophenyl)oxepan-4-amine
CID 65077164
1-N-(2,6-difluorophenyl)cyclohexane-1,3-diamine
CID 79458634
4-tert-butyl-N-(2,6-difluorophenyl)cycloheptan-1-amine
CID 65090003
2,6-dichloro-N-cyclohexylaniline
CID 65469917
4-N-cycloheptyl-6-N-(2,6-difluorophenyl)pyrimidine-4,6-diamine
CID 112863930
N-(2,6-difluorophenyl)-4-propylcycloheptan-1-amine
CID 65086344
N-(2,6-difluorophenyl)-1-ethylazepan-4-amine
CID 65074729
1-cyclooctyl-3-(2,6-difluorophenyl)thiourea
CID 100663552
1-cycloheptyl-3-(2,6-difluorophenyl)urea
CID 47132653
1-N-cyclopentyl-3-fluorobenzene-1,2-diamine
CID 60783191
N-(3,3-dimethylcyclopentyl)-2,6-difluoroaniline
CID 80692653
N-(2,6-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131807

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)cycloheptanamine?
The IUPAC name of N-(2,6-difluorophenyl)cycloheptanamine (CID 28974538) is N-(2,6-difluorophenyl)cycloheptanamine.
What is the SMILES notation for N-(2,6-difluorophenyl)cycloheptanamine?
The canonical SMILES for N-(2,6-difluorophenyl)cycloheptanamine is Fc1cccc(F)c1NC1CCCCCC1.
What is the InChIKey of N-(2,6-difluorophenyl)cycloheptanamine?
The InChIKey is RIQWUMXWGDJIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c14-11-8-5-9-12(15)13(11)16-10-6-3-1-2-4-7-10/h5,8-10,16H,1-4,6-7H2.
What are the key properties of N-(2,6-difluorophenyl)cycloheptanamine?
N-(2,6-difluorophenyl)cycloheptanamine has a molecular weight of 225.28 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)cycloheptanamine is sourced from PubChem (CID 28974538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).