(2-amino-4-methoxyphenyl)-(4-methylazepan-1-yl)methanone

C15H22N2O2 — CID 115413263

IUPAC(2-amino-4-methoxyphenyl)-(4-methylazepan-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(C)CC2)c(N)c1
InChIInChI=1S/C15H22N2O2/c1-11-4-3-8-17(9-7-11)15(18)13-6-5-12(19-2)10-14(13)16/h5-6,10-11H,3-4,7-9,16H2,1-2H3
InChIKeyQOUQRTMDRJKNLL-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.54
Rot. Bonds2

About (2-amino-4-methoxyphenyl)-(4-methylazepan-1-yl)methanone

(2-amino-4-methoxyphenyl)-(4-methylazepan-1-yl)methanone (PubChem CID 115413263) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2-amino-4-methoxyphenyl)-(4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-methoxyphenyl)-(4-methylazepan-1-yl)methanone
PubChem CID115413263
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2-amino-4-methoxyphenyl)-(4-methylazepan-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(C)CC2)c(N)c1
InChIInChI=1S/C15H22N2O2/c1-11-4-3-8-17(9-7-11)15(18)13-6-5-12(19-2)10-14(13)16/h5-6,10-11H,3-4,7-9,16H2,1-2H3
InChIKeyQOUQRTMDRJKNLL-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

(2-amino-4-fluorophenyl)-(4-methylazepan-1-yl)methanone
CID 63627576
1-(2-amino-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 82546755
(2-amino-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678357
1-(2-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103195267
(2-amino-4-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 115413231
(2-amino-4-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 115413350
(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404373
(3-amino-5-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 81092592
(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 115413606
(2-amino-4-methoxyphenyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 115413028
4-(2-amino-4-methoxybenzoyl)piperazine-1-sulfonamide
CID 115412870
(2-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 115413472

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methoxyphenyl)-(4-methylazepan-1-yl)methanone?
The IUPAC name of (2-amino-4-methoxyphenyl)-(4-methylazepan-1-yl)methanone (CID 115413263) is (2-amino-4-methoxyphenyl)-(4-methylazepan-1-yl)methanone.
What is the SMILES notation for (2-amino-4-methoxyphenyl)-(4-methylazepan-1-yl)methanone?
The canonical SMILES for (2-amino-4-methoxyphenyl)-(4-methylazepan-1-yl)methanone is COc1ccc(C(=O)N2CCCC(C)CC2)c(N)c1.
What is the InChIKey of (2-amino-4-methoxyphenyl)-(4-methylazepan-1-yl)methanone?
The InChIKey is QOUQRTMDRJKNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-4-3-8-17(9-7-11)15(18)13-6-5-12(19-2)10-14(13)16/h5-6,10-11H,3-4,7-9,16H2,1-2H3.
What are the key properties of (2-amino-4-methoxyphenyl)-(4-methylazepan-1-yl)methanone?
(2-amino-4-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 (2-amino-4-methoxyphenyl)-(4-methylazepan-1-yl)methanone is sourced from PubChem (CID 115413263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).