N-(2,4-dimethylphenyl)-1-ethylazepan-4-amine

C16H26N2 — CID 65072468

IUPACN-(2,4-dimethylphenyl)-1-ethylazepan-4-amine
SMILESCCN1CCCC(Nc2ccc(C)cc2C)CC1
InChIInChI=1S/C16H26N2/c1-4-18-10-5-6-15(9-11-18)17-16-8-7-13(2)12-14(16)3/h7-8,12,15,17H,4-6,9-11H2,1-3H3
InChIKeyCVGQBBNVHXAFHA-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.59
Rot. Bonds3

About N-(2,4-dimethylphenyl)-1-ethylazepan-4-amine

N-(2,4-dimethylphenyl)-1-ethylazepan-4-amine (PubChem CID 65072468) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-ethylazepan-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-ethylazepan-4-amine
PubChem CID65072468
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-(2,4-dimethylphenyl)-1-ethylazepan-4-amine
SMILESCCN1CCCC(Nc2ccc(C)cc2C)CC1
InChIInChI=1S/C16H26N2/c1-4-18-10-5-6-15(9-11-18)17-16-8-7-13(2)12-14(16)3/h7-8,12,15,17H,4-6,9-11H2,1-3H3
InChIKeyCVGQBBNVHXAFHA-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-N-(4-fluoro-2-methylphenyl)azepan-4-amine
CID 65072745
1-ethyl-N-(4-iodo-2-methylphenyl)azepan-4-amine
CID 65074024
N-(4-iodo-2-methylphenyl)-1-propylazepan-4-amine
CID 65074070
1-ethyl-N-(2,4,6-trimethylphenyl)piperidin-4-amine
CID 54861532
N-(2-bromo-5-methylphenyl)-1-propylazepan-4-amine
CID 82761578
N-(2-ethoxy-4-fluorophenyl)-1-ethylazepan-4-amine
CID 65074721
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,4-dimethylaniline
CID 43307344
N-(5-bromo-2-fluorophenyl)-1-ethylazepan-4-amine
CID 65074592
N-(2,3-dichlorophenyl)-1-ethylazepan-4-amine
CID 65074283
tert-butyl 4-(2,4-dimethylanilino)azepane-1-carboxylate
CID 103980311
1-ethyl-N-(2-fluoro-4-nitrophenyl)azepan-4-amine
CID 65073343
N-(5-bromo-2-methoxyphenyl)-1-ethylazepan-4-amine
CID 65073536

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-ethylazepan-4-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-1-ethylazepan-4-amine (CID 65072468) is N-(2,4-dimethylphenyl)-1-ethylazepan-4-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-ethylazepan-4-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-ethylazepan-4-amine is CCN1CCCC(Nc2ccc(C)cc2C)CC1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-ethylazepan-4-amine?
The InChIKey is CVGQBBNVHXAFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-18-10-5-6-15(9-11-18)17-16-8-7-13(2)12-14(16)3/h7-8,12,15,17H,4-6,9-11H2,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-1-ethylazepan-4-amine?
N-(2,4-dimethylphenyl)-1-ethylazepan-4-amine has a molecular weight of 246.40 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-ethylazepan-4-amine is sourced from PubChem (CID 65072468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).