1-ethyl-N-(4-fluoro-2-methylphenyl)azepan-4-amine

C15H23FN2 — CID 65072745

IUPAC1-ethyl-N-(4-fluoro-2-methylphenyl)azepan-4-amine
SMILESCCN1CCCC(Nc2ccc(F)cc2C)CC1
InChIInChI=1S/C15H23FN2/c1-3-18-9-4-5-14(8-10-18)17-15-7-6-13(16)11-12(15)2/h6-7,11,14,17H,3-5,8-10H2,1-2H3
InChIKeyGHFAQTXWNCQTAZ-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.42
Rot. Bonds3

About 1-ethyl-N-(4-fluoro-2-methylphenyl)azepan-4-amine

1-ethyl-N-(4-fluoro-2-methylphenyl)azepan-4-amine (PubChem CID 65072745) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-ethyl-N-(4-fluoro-2-methylphenyl)azepan-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(4-fluoro-2-methylphenyl)azepan-4-amine
PubChem CID65072745
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-ethyl-N-(4-fluoro-2-methylphenyl)azepan-4-amine
SMILESCCN1CCCC(Nc2ccc(F)cc2C)CC1
InChIInChI=1S/C15H23FN2/c1-3-18-9-4-5-14(8-10-18)17-15-7-6-13(16)11-12(15)2/h6-7,11,14,17H,3-5,8-10H2,1-2H3
InChIKeyGHFAQTXWNCQTAZ-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-1-ethylazepan-4-amine
CID 65072468
N-(2-ethoxy-4-fluorophenyl)-1-ethylazepan-4-amine
CID 65074721
1-ethyl-N-(4-iodo-2-methylphenyl)azepan-4-amine
CID 65074024
N-(5-fluoro-2-methylphenyl)-1-propylazepan-4-amine
CID 65072389
N-(4-fluoro-2-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65072744
N-(5-bromo-2-fluorophenyl)-1-ethylazepan-4-amine
CID 65074592
N-(4-iodo-2-methylphenyl)-1-propylazepan-4-amine
CID 65074070
3-[(1-ethylazepan-4-yl)amino]-4-fluorobenzoic acid
CID 65074475
1-ethyl-N-(2-fluoro-4-nitrophenyl)azepan-4-amine
CID 65073343
1-ethyl-N-(2,4,5-trifluorophenyl)piperidin-4-amine
CID 62816568
N-(2,6-difluorophenyl)-1-ethylazepan-4-amine
CID 65074729
1-ethyl-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 103943629

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-fluoro-2-methylphenyl)azepan-4-amine?
The IUPAC name of 1-ethyl-N-(4-fluoro-2-methylphenyl)azepan-4-amine (CID 65072745) is 1-ethyl-N-(4-fluoro-2-methylphenyl)azepan-4-amine.
What is the SMILES notation for 1-ethyl-N-(4-fluoro-2-methylphenyl)azepan-4-amine?
The canonical SMILES for 1-ethyl-N-(4-fluoro-2-methylphenyl)azepan-4-amine is CCN1CCCC(Nc2ccc(F)cc2C)CC1.
What is the InChIKey of 1-ethyl-N-(4-fluoro-2-methylphenyl)azepan-4-amine?
The InChIKey is GHFAQTXWNCQTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-18-9-4-5-14(8-10-18)17-15-7-6-13(16)11-12(15)2/h6-7,11,14,17H,3-5,8-10H2,1-2H3.
What are the key properties of 1-ethyl-N-(4-fluoro-2-methylphenyl)azepan-4-amine?
1-ethyl-N-(4-fluoro-2-methylphenyl)azepan-4-amine has a molecular weight of 250.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-fluoro-2-methylphenyl)azepan-4-amine is sourced from PubChem (CID 65072745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).