2-(4-chloro-2-methylphenyl)-1-ethylazepan-3-amine

C15H23ClN2 — CID 114075962

IUPAC2-(4-chloro-2-methylphenyl)-1-ethylazepan-3-amine
SMILESCCN1CCCCC(N)C1c1ccc(Cl)cc1C
InChIInChI=1S/C15H23ClN2/c1-3-18-9-5-4-6-14(17)15(18)13-8-7-12(16)10-11(13)2/h7-8,10,14-15H,3-6,9,17H2,1-2H3
InChIKeyBMXSBNOYTWGWEJ-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.52
Rot. Bonds2

About 2-(4-chloro-2-methylphenyl)-1-ethylazepan-3-amine

2-(4-chloro-2-methylphenyl)-1-ethylazepan-3-amine (PubChem CID 114075962) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenyl)-1-ethylazepan-3-amine.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenyl)-1-ethylazepan-3-amine
PubChem CID114075962
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name2-(4-chloro-2-methylphenyl)-1-ethylazepan-3-amine
SMILESCCN1CCCCC(N)C1c1ccc(Cl)cc1C
InChIInChI=1S/C15H23ClN2/c1-3-18-9-5-4-6-14(17)15(18)13-8-7-12(16)10-11(13)2/h7-8,10,14-15H,3-6,9,17H2,1-2H3
InChIKeyBMXSBNOYTWGWEJ-UHFFFAOYSA-N
XLogP3.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1-ethylazepan-3-amine
CID 114866715
2-(4-chloro-2-methylphenyl)-1-(2-methylpropyl)pyrrolidin-3-amine
CID 114075960
[2-(4-chloro-2-methylphenyl)-1-methylpiperidin-3-yl]methanamine
CID 114075917
2-(2-cyclopropylphenyl)-1-ethylpiperidin-3-amine
CID 79977584
2-(3,4-dibromophenyl)-1-ethylazepan-3-amine
CID 114077570
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylazepan-3-amine
CID 64507040
1-[2-(4-chloro-2-fluorophenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine
CID 114866557
1-ethyl-2-(3-fluoro-4-methoxyphenyl)azepan-3-amine
CID 65101028
2-(5-chloro-1,3-thiazol-2-yl)-1-ethylazepan-3-amine
CID 107125612
2-(2-fluoro-5-methylphenyl)-1-propylpiperidin-3-amine
CID 114055150
1-ethyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine
CID 103348628
4-(4-chloro-2-methylphenyl)cyclohexan-1-amine
CID 134447858

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenyl)-1-ethylazepan-3-amine?
The IUPAC name of 2-(4-chloro-2-methylphenyl)-1-ethylazepan-3-amine (CID 114075962) is 2-(4-chloro-2-methylphenyl)-1-ethylazepan-3-amine.
What is the SMILES notation for 2-(4-chloro-2-methylphenyl)-1-ethylazepan-3-amine?
The canonical SMILES for 2-(4-chloro-2-methylphenyl)-1-ethylazepan-3-amine is CCN1CCCCC(N)C1c1ccc(Cl)cc1C.
What is the InChIKey of 2-(4-chloro-2-methylphenyl)-1-ethylazepan-3-amine?
The InChIKey is BMXSBNOYTWGWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-3-18-9-5-4-6-14(17)15(18)13-8-7-12(16)10-11(13)2/h7-8,10,14-15H,3-6,9,17H2,1-2H3.
What are the key properties of 2-(4-chloro-2-methylphenyl)-1-ethylazepan-3-amine?
2-(4-chloro-2-methylphenyl)-1-ethylazepan-3-amine has a molecular weight of 266.82 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenyl)-1-ethylazepan-3-amine is sourced from PubChem (CID 114075962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).