(2-aminophenyl)-(azepan-1-yl)methanone

C13H18N2O — CID 726247

IUPAC(2-aminophenyl)-(azepan-1-yl)methanone
SMILESNc1ccccc1C(=O)N1CCCCCC1
InChIInChI=1S/C13H18N2O/c14-12-8-4-3-7-11(12)13(16)15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-10,14H2
InChIKeyIYVSAXXHASZZBO-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.29
Rot. Bonds1

About (2-aminophenyl)-(azepan-1-yl)methanone

(2-aminophenyl)-(azepan-1-yl)methanone (PubChem CID 726247) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (2-aminophenyl)-(azepan-1-yl)methanone.

Molecular Properties

Compound Name(2-aminophenyl)-(azepan-1-yl)methanone
PubChem CID726247
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(2-aminophenyl)-(azepan-1-yl)methanone
SMILESNc1ccccc1C(=O)N1CCCCCC1
InChIInChI=1S/C13H18N2O/c14-12-8-4-3-7-11(12)13(16)15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-10,14H2
InChIKeyIYVSAXXHASZZBO-UHFFFAOYSA-N
XLogP2.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
1-(2-aminobenzoyl)piperidine-4-carboxylic acid
CID 1211390
(2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62937023
2-aminobenzamide;piperidine-1-carboxylic acid
CID 174784714
(2-amino-4-bromophenyl)-(azepan-1-yl)methanone
CID 69071535
1-(2-aminobenzoyl)pyrrolidine-3-carboxylic acid
CID 22322640
(2-aminophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60959685
(2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride
CID 119946429
1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-cyclohexylurea
CID 119944988
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
2-(piperidine-1-carbonyl)phenolate
CID 101121314
(2-iodophenyl)-piperidin-1-ylmethanone
CID 962070

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-(azepan-1-yl)methanone?
The IUPAC name of (2-aminophenyl)-(azepan-1-yl)methanone (CID 726247) is (2-aminophenyl)-(azepan-1-yl)methanone.
What is the SMILES notation for (2-aminophenyl)-(azepan-1-yl)methanone?
The canonical SMILES for (2-aminophenyl)-(azepan-1-yl)methanone is Nc1ccccc1C(=O)N1CCCCCC1.
What is the InChIKey of (2-aminophenyl)-(azepan-1-yl)methanone?
The InChIKey is IYVSAXXHASZZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-12-8-4-3-7-11(12)13(16)15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-10,14H2.
What are the key properties of (2-aminophenyl)-(azepan-1-yl)methanone?
(2-aminophenyl)-(azepan-1-yl)methanone has a molecular weight of 218.30 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-(azepan-1-yl)methanone is sourced from PubChem (CID 726247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).