N-(3-fluoro-2-methylphenyl)-1-propylazepan-4-amine

C16H25FN2 — CID 65073245

IUPACN-(3-fluoro-2-methylphenyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(Nc2cccc(F)c2C)CC1
InChIInChI=1S/C16H25FN2/c1-3-10-19-11-5-6-14(9-12-19)18-16-8-4-7-15(17)13(16)2/h4,7-8,14,18H,3,5-6,9-12H2,1-2H3
InChIKeyLRHACXJONMXMSI-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.81
Rot. Bonds4

About N-(3-fluoro-2-methylphenyl)-1-propylazepan-4-amine

N-(3-fluoro-2-methylphenyl)-1-propylazepan-4-amine (PubChem CID 65073245) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-1-propylazepan-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-1-propylazepan-4-amine
PubChem CID65073245
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-(3-fluoro-2-methylphenyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(Nc2cccc(F)c2C)CC1
InChIInChI=1S/C16H25FN2/c1-3-10-19-11-5-6-14(9-12-19)18-16-8-4-7-15(17)13(16)2/h4,7-8,14,18H,3,5-6,9-12H2,1-2H3
InChIKeyLRHACXJONMXMSI-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-fluoro-2-methylphenyl)-1-propylazepan-4-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

N-(2-methyl-3-nitrophenyl)-1-propylazepan-4-amine
CID 65074617
N-(2-methyl-3-pyridinyl)-1-propylazepan-4-amine
CID 79041986
3-fluoro-4-methyl-5-[(1-propylazepan-4-yl)amino]benzonitrile
CID 65074572
N-(5-fluoro-2-methylphenyl)-1-propylazepan-4-amine
CID 65072389
N-(2-tert-butylphenyl)-1-propylazepan-4-amine
CID 65074700
2-fluoro-6-[(1-propylpiperidin-4-yl)amino]benzenecarbothioamide
CID 79513789
N-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine
CID 65072540
N-(3-fluoro-2-methylphenyl)-4-propylcycloheptan-1-amine
CID 65091174
N-(2-bromo-6-fluorophenyl)-1-propylpiperidin-4-amine
CID 107598285
N-(2,5-dichlorophenyl)-1-propylazepan-4-amine
CID 65072419
N-(2,6-difluorophenyl)-1-ethylazepan-4-amine
CID 65074729
3-fluoro-2-methyl-N-(4-propylcyclohexyl)aniline
CID 63455039

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-1-propylazepan-4-amine?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-1-propylazepan-4-amine (CID 65073245) is N-(3-fluoro-2-methylphenyl)-1-propylazepan-4-amine.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-1-propylazepan-4-amine?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-1-propylazepan-4-amine is CCCN1CCCC(Nc2cccc(F)c2C)CC1.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-1-propylazepan-4-amine?
The InChIKey is LRHACXJONMXMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-10-19-11-5-6-14(9-12-19)18-16-8-4-7-15(17)13(16)2/h4,7-8,14,18H,3,5-6,9-12H2,1-2H3.
What are the key properties of N-(3-fluoro-2-methylphenyl)-1-propylazepan-4-amine?
N-(3-fluoro-2-methylphenyl)-1-propylazepan-4-amine has a molecular weight of 264.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-1-propylazepan-4-amine is sourced from PubChem (CID 65073245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).