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

C14H20F2N2 — CID 65074729

IUPACN-(2,6-difluorophenyl)-1-ethylazepan-4-amine
SMILESCCN1CCCC(Nc2c(F)cccc2F)CC1
InChIInChI=1S/C14H20F2N2/c1-2-18-9-4-5-11(8-10-18)17-14-12(15)6-3-7-13(14)16/h3,6-7,11,17H,2,4-5,8-10H2,1H3
InChIKeyGBJKVRJQJLPLNK-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.25
Rot. Bonds3

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

N-(2,6-difluorophenyl)-1-ethylazepan-4-amine (PubChem CID 65074729) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-1-ethylazepan-4-amine.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-1-ethylazepan-4-amine
PubChem CID65074729
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC NameN-(2,6-difluorophenyl)-1-ethylazepan-4-amine
SMILESCCN1CCCC(Nc2c(F)cccc2F)CC1
InChIInChI=1S/C14H20F2N2/c1-2-18-9-4-5-11(8-10-18)17-14-12(15)6-3-7-13(14)16/h3,6-7,11,17H,2,4-5,8-10H2,1H3
InChIKeyGBJKVRJQJLPLNK-UHFFFAOYSA-N
XLogP3.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-6-(trifluoromethyl)phenyl]-1-ethylazepan-4-amine
CID 65074435
N-(2,6-difluorophenyl)cycloheptanamine
CID 28974538
N-(5-bromo-2-fluorophenyl)-1-ethylazepan-4-amine
CID 65074592
1-ethyl-N-(2,4,6-trichlorophenyl)azepan-4-amine
CID 65074238
N-(2-bromo-6-fluorophenyl)-1-propylpiperidin-4-amine
CID 107598285
N-(3-bromophenyl)-1-ethylazepan-4-amine
CID 65072536
N-(2,3-dichlorophenyl)-1-ethylazepan-4-amine
CID 65074283
N-(3-fluoro-2-methylphenyl)-1-propylazepan-4-amine
CID 65073245
1-ethyl-N-(4-fluoro-2-methylphenyl)azepan-4-amine
CID 65072745
3-[(1-ethylazepan-4-yl)amino]-4-fluorobenzoic acid
CID 65074475
1-ethyl-N-(4-iodophenyl)azepan-4-amine
CID 65073993
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,6-difluoroaniline
CID 43308670

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-1-ethylazepan-4-amine?
The IUPAC name of N-(2,6-difluorophenyl)-1-ethylazepan-4-amine (CID 65074729) is N-(2,6-difluorophenyl)-1-ethylazepan-4-amine.
What is the SMILES notation for N-(2,6-difluorophenyl)-1-ethylazepan-4-amine?
The canonical SMILES for N-(2,6-difluorophenyl)-1-ethylazepan-4-amine is CCN1CCCC(Nc2c(F)cccc2F)CC1.
What is the InChIKey of N-(2,6-difluorophenyl)-1-ethylazepan-4-amine?
The InChIKey is GBJKVRJQJLPLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-2-18-9-4-5-11(8-10-18)17-14-12(15)6-3-7-13(14)16/h3,6-7,11,17H,2,4-5,8-10H2,1H3.
What are the key properties of N-(2,6-difluorophenyl)-1-ethylazepan-4-amine?
N-(2,6-difluorophenyl)-1-ethylazepan-4-amine has a molecular weight of 254.32 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-1-ethylazepan-4-amine is sourced from PubChem (CID 65074729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).