6-amino-7-(2-chloro-6-methoxyphenyl)-1-methylazepan-2-one

C14H19ClN2O2 — CID 104818738

IUPAC6-amino-7-(2-chloro-6-methoxyphenyl)-1-methylazepan-2-one
SMILESCOc1cccc(Cl)c1C1C(N)CCCC(=O)N1C
InChIInChI=1S/C14H19ClN2O2/c1-17-12(18)8-4-6-10(16)14(17)13-9(15)5-3-7-11(13)19-2/h3,5,7,10,14H,4,6,8,16H2,1-2H3
InChIKeyXJUWXPICTMYTSE-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.36
Rot. Bonds2

About 6-amino-7-(2-chloro-6-methoxyphenyl)-1-methylazepan-2-one

6-amino-7-(2-chloro-6-methoxyphenyl)-1-methylazepan-2-one (PubChem CID 104818738) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 6-amino-7-(2-chloro-6-methoxyphenyl)-1-methylazepan-2-one.

Molecular Properties

Compound Name6-amino-7-(2-chloro-6-methoxyphenyl)-1-methylazepan-2-one
PubChem CID104818738
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name6-amino-7-(2-chloro-6-methoxyphenyl)-1-methylazepan-2-one
SMILESCOc1cccc(Cl)c1C1C(N)CCCC(=O)N1C
InChIInChI=1S/C14H19ClN2O2/c1-17-12(18)8-4-6-10(16)14(17)13-9(15)5-3-7-11(13)19-2/h3,5,7,10,14H,4,6,8,16H2,1-2H3
InChIKeyXJUWXPICTMYTSE-UHFFFAOYSA-N
XLogP2.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-6-(2-chloro-6-methoxyphenyl)-1-propylpiperidin-2-one
CID 104818740
5-amino-6-(2-chloro-6-methoxyphenyl)-1-ethylpiperidin-2-one
CID 104818739
2-(2-chloro-6-methoxyphenyl)-1-cyclopropylpyrrolidin-3-amine
CID 113456591
2-(2-chloro-6-methoxyphenyl)cyclopropan-1-amine
CID 104817620
6-amino-7-(3-chloro-4-methoxyphenyl)-1-cyclopropylazepan-2-one
CID 65021981
[2-(2-chloro-6-methoxyphenyl)-1-propylazepan-3-yl]methanamine
CID 104818727
N-[[2-(2-chloro-6-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine
CID 104818671
6-amino-1-methyl-7-(4-phenylmethoxyphenyl)azepan-2-one
CID 113235020
6-amino-7-(3-chloro-2-fluorophenyl)-1-cyclopropylazepan-2-one
CID 114488949
5-amino-6-(3-methoxy-4-propan-2-yloxyphenyl)-1-methylpiperidin-2-one
CID 82193322
1-[2-(2-chloro-6-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine
CID 104818691
5-amino-6-(3-ethoxy-4-methoxyphenyl)-1-methylpiperidin-2-one
CID 82193325

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(2-chloro-6-methoxyphenyl)-1-methylazepan-2-one?
The IUPAC name of 6-amino-7-(2-chloro-6-methoxyphenyl)-1-methylazepan-2-one (CID 104818738) is 6-amino-7-(2-chloro-6-methoxyphenyl)-1-methylazepan-2-one.
What is the SMILES notation for 6-amino-7-(2-chloro-6-methoxyphenyl)-1-methylazepan-2-one?
The canonical SMILES for 6-amino-7-(2-chloro-6-methoxyphenyl)-1-methylazepan-2-one is COc1cccc(Cl)c1C1C(N)CCCC(=O)N1C.
What is the InChIKey of 6-amino-7-(2-chloro-6-methoxyphenyl)-1-methylazepan-2-one?
The InChIKey is XJUWXPICTMYTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-17-12(18)8-4-6-10(16)14(17)13-9(15)5-3-7-11(13)19-2/h3,5,7,10,14H,4,6,8,16H2,1-2H3.
What are the key properties of 6-amino-7-(2-chloro-6-methoxyphenyl)-1-methylazepan-2-one?
6-amino-7-(2-chloro-6-methoxyphenyl)-1-methylazepan-2-one has a molecular weight of 282.77 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(2-chloro-6-methoxyphenyl)-1-methylazepan-2-one is sourced from PubChem (CID 104818738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).