(3-amino-5-methoxyphenyl)-(4-methylazepan-1-yl)methanone

C15H22N2O2 — CID 81092592

IUPAC(3-amino-5-methoxyphenyl)-(4-methylazepan-1-yl)methanone
SMILESCOc1cc(N)cc(C(=O)N2CCCC(C)CC2)c1
InChIInChI=1S/C15H22N2O2/c1-11-4-3-6-17(7-5-11)15(18)12-8-13(16)10-14(9-12)19-2/h8-11H,3-7,16H2,1-2H3
InChIKeyJFSCTRLZQYDUEC-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.54
Rot. Bonds2

About (3-amino-5-methoxyphenyl)-(4-methylazepan-1-yl)methanone

(3-amino-5-methoxyphenyl)-(4-methylazepan-1-yl)methanone (PubChem CID 81092592) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3-amino-5-methoxyphenyl)-(4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-methoxyphenyl)-(4-methylazepan-1-yl)methanone
PubChem CID81092592
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(3-amino-5-methoxyphenyl)-(4-methylazepan-1-yl)methanone
SMILESCOc1cc(N)cc(C(=O)N2CCCC(C)CC2)c1
InChIInChI=1S/C15H22N2O2/c1-11-4-3-6-17(7-5-11)15(18)12-8-13(16)10-14(9-12)19-2/h8-11H,3-7,16H2,1-2H3
InChIKeyJFSCTRLZQYDUEC-UHFFFAOYSA-N
XLogP2.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-amino-5-ethoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 81092691
(3-amino-5-methylsulfonylphenyl)-(4-methylazepan-1-yl)methanone
CID 63623305
(3-amino-5-ethoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 81089765
(3-amino-5-methoxyphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 81091094
(3-amino-5-methoxyphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 81093481
(2-amino-4-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 115413263
(3-amino-5-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 81090979
3-amino-5-(3-methylpiperidine-1-carbonyl)benzamide
CID 171662832
(3-amino-4,5-dichlorophenyl)-(4-methylazepan-1-yl)methanone
CID 63622744
(3-aminopiperidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119377142
(3-amino-5-methoxyphenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107210906
3-amino-5-methoxy-N-methyl-N-(4-methylcyclohexyl)benzamide
CID 78985060

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methoxyphenyl)-(4-methylazepan-1-yl)methanone?
The IUPAC name of (3-amino-5-methoxyphenyl)-(4-methylazepan-1-yl)methanone (CID 81092592) is (3-amino-5-methoxyphenyl)-(4-methylazepan-1-yl)methanone.
What is the SMILES notation for (3-amino-5-methoxyphenyl)-(4-methylazepan-1-yl)methanone?
The canonical SMILES for (3-amino-5-methoxyphenyl)-(4-methylazepan-1-yl)methanone is COc1cc(N)cc(C(=O)N2CCCC(C)CC2)c1.
What is the InChIKey of (3-amino-5-methoxyphenyl)-(4-methylazepan-1-yl)methanone?
The InChIKey is JFSCTRLZQYDUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-4-3-6-17(7-5-11)15(18)12-8-13(16)10-14(9-12)19-2/h8-11H,3-7,16H2,1-2H3.
What are the key properties of (3-amino-5-methoxyphenyl)-(4-methylazepan-1-yl)methanone?
(3-amino-5-methoxyphenyl)-(4-methylazepan-1-yl)methanone has a molecular weight of 262.35 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methoxyphenyl)-(4-methylazepan-1-yl)methanone is sourced from PubChem (CID 81092592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).