N-(4-fluoro-2-methylphenyl)-1-propan-2-ylazepan-4-amine

C16H25FN2 — CID 65072744

IUPACN-(4-fluoro-2-methylphenyl)-1-propan-2-ylazepan-4-amine
SMILESCc1cc(F)ccc1NC1CCCN(C(C)C)CC1
InChIInChI=1S/C16H25FN2/c1-12(2)19-9-4-5-15(8-10-19)18-16-7-6-14(17)11-13(16)3/h6-7,11-12,15,18H,4-5,8-10H2,1-3H3
InChIKeyIAVQYVNCGUECIL-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.81
Rot. Bonds3

About N-(4-fluoro-2-methylphenyl)-1-propan-2-ylazepan-4-amine

N-(4-fluoro-2-methylphenyl)-1-propan-2-ylazepan-4-amine (PubChem CID 65072744) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-1-propan-2-ylazepan-4-amine
PubChem CID65072744
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-(4-fluoro-2-methylphenyl)-1-propan-2-ylazepan-4-amine
SMILESCc1cc(F)ccc1NC1CCCN(C(C)C)CC1
InChIInChI=1S/C16H25FN2/c1-12(2)19-9-4-5-15(8-10-19)18-16-7-6-14(17)11-13(16)3/h6-7,11-12,15,18H,4-5,8-10H2,1-3H3
InChIKeyIAVQYVNCGUECIL-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

N-(5-fluoro-2-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65073150
N-(2-chloro-4-fluorophenyl)-1-propan-2-ylazepan-4-amine
CID 65074388
1-ethyl-N-(4-fluoro-2-methylphenyl)azepan-4-amine
CID 65072745
N-(5-chloro-2-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65073026
4-fluoro-3-[(1-propan-2-ylazepan-4-yl)amino]benzoic acid
CID 65074474
N-(4-bromo-2-chlorophenyl)-1-propan-2-ylazepan-4-amine
CID 65074191
N-(2-methoxy-5-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65072841
N-(2-bromo-5-chloro-4-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 104722837
N-(5-bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43555455
N-(4-bromo-2-nitrophenyl)-1-propan-2-ylazepan-4-amine
CID 65073262
N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine
CID 65071350
4-bromo-2-[(1-propan-2-ylazepan-4-yl)amino]benzonitrile
CID 107797519

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-1-propan-2-ylazepan-4-amine?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-1-propan-2-ylazepan-4-amine (CID 65072744) is N-(4-fluoro-2-methylphenyl)-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-1-propan-2-ylazepan-4-amine?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-1-propan-2-ylazepan-4-amine is Cc1cc(F)ccc1NC1CCCN(C(C)C)CC1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-1-propan-2-ylazepan-4-amine?
The InChIKey is IAVQYVNCGUECIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12(2)19-9-4-5-15(8-10-19)18-16-7-6-14(17)11-13(16)3/h6-7,11-12,15,18H,4-5,8-10H2,1-3H3.
What are the key properties of N-(4-fluoro-2-methylphenyl)-1-propan-2-ylazepan-4-amine?
N-(4-fluoro-2-methylphenyl)-1-propan-2-ylazepan-4-amine has a molecular weight of 264.39 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 65072744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).