2-(3,5-difluorophenyl)-1-propylazepan-3-amine

C15H22F2N2 — CID 106534377

IUPAC2-(3,5-difluorophenyl)-1-propylazepan-3-amine
SMILESCCCN1CCCCC(N)C1c1cc(F)cc(F)c1
InChIInChI=1S/C15H22F2N2/c1-2-6-19-7-4-3-5-14(18)15(19)11-8-12(16)10-13(17)9-11/h8-10,14-15H,2-7,18H2,1H3
InChIKeyIIAOPJYWIBOLEX-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.23
Rot. Bonds3

About 2-(3,5-difluorophenyl)-1-propylazepan-3-amine

2-(3,5-difluorophenyl)-1-propylazepan-3-amine (PubChem CID 106534377) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-propylazepan-3-amine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-propylazepan-3-amine
PubChem CID106534377
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name2-(3,5-difluorophenyl)-1-propylazepan-3-amine
SMILESCCCN1CCCCC(N)C1c1cc(F)cc(F)c1
InChIInChI=1S/C15H22F2N2/c1-2-6-19-7-4-3-5-14(18)15(19)11-8-12(16)10-13(17)9-11/h8-10,14-15H,2-7,18H2,1H3
InChIKeyIIAOPJYWIBOLEX-UHFFFAOYSA-N
XLogP3.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,5-difluorophenyl)-1-propylazepan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(difluoromethyl)phenyl]-1-propylazepan-3-amine
CID 115525529
1-propyl-2-(2-propylpyrazol-3-yl)azepan-3-amine
CID 114557827
2-(2-ethylpyrazol-3-yl)-1-propylazepan-3-amine
CID 114557828
2-(2-fluoro-5-methylphenyl)-1-propylpiperidin-3-amine
CID 114055150
(2R,3S)-2-(4-chloro-3-fluorophenyl)-1-propylpyrrolidin-3-amine
CID 178196605
2-(3-chloro-4-fluorophenyl)-1-(2-methoxyethyl)azepan-3-amine
CID 81159445
1-ethyl-2-(3-fluoro-4-methoxyphenyl)azepan-3-amine
CID 65101028
2-(3,4-dibromophenyl)-1-ethylazepan-3-amine
CID 114077570
4-amino-5-(3,5-difluorophenyl)-1-propylpyrrolidin-2-one
CID 106534351
1-[2-(3-chloro-5-fluorophenyl)-1-propylpyrrolidin-3-yl]-N-methylmethanamine
CID 114454759
(2R,3S)-2-(3-aminophenyl)-1-propylpyrrolidin-3-amine
CID 178199859
2-(3-chloro-4-fluorophenyl)-1-(2-methylpropyl)azepan-3-amine
CID 81159300

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-propylazepan-3-amine?
The IUPAC name of 2-(3,5-difluorophenyl)-1-propylazepan-3-amine (CID 106534377) is 2-(3,5-difluorophenyl)-1-propylazepan-3-amine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-propylazepan-3-amine?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-propylazepan-3-amine is CCCN1CCCCC(N)C1c1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-propylazepan-3-amine?
The InChIKey is IIAOPJYWIBOLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-2-6-19-7-4-3-5-14(18)15(19)11-8-12(16)10-13(17)9-11/h8-10,14-15H,2-7,18H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-propylazepan-3-amine?
2-(3,5-difluorophenyl)-1-propylazepan-3-amine has a molecular weight of 268.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-propylazepan-3-amine is sourced from PubChem (CID 106534377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).