(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride

C14H21ClN2O — CID 119676424

IUPAC(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
SMILESCl.Nc1cccc(C(=O)N2CCCCCCC2)c1
InChIInChI=1S/C14H20N2O.ClH/c15-13-8-6-7-12(11-13)14(17)16-9-4-2-1-3-5-10-16;/h6-8,11H,1-5,9-10,15H2;1H
InChIKeyGXLRJIINPSPXTI-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.10
Rot. Bonds1

About (3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride

(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride (PubChem CID 119676424) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is (3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
PubChem CID119676424
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
SMILESCl.Nc1cccc(C(=O)N2CCCCCCC2)c1
InChIInChI=1S/C14H20N2O.ClH/c15-13-8-6-7-12(11-13)14(17)16-9-4-2-1-3-5-10-16;/h6-8,11H,1-5,9-10,15H2;1H
InChIKeyGXLRJIINPSPXTI-UHFFFAOYSA-N
XLogP3.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.10
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

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(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 19842351
(3S)-1-(3-aminobenzoyl)piperidine-3-carboxylic acid
CID 81125780
(3-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride
CID 119803719
(3-aminophenyl)-thiomorpholin-4-ylmethanone
CID 28786527
3-amino-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 6939897
3-(azecane-1-carbonyl)benzamide
CID 66696565
3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 66718983
(3-aminophenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 119734697
2-[1-(3-aminobenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 119735039
1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119686678
(3-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride
CID 119765253

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride?
The IUPAC name of (3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride (CID 119676424) is (3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride is Cl.Nc1cccc(C(=O)N2CCCCCCC2)c1.
What is the InChIKey of (3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride?
The InChIKey is GXLRJIINPSPXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c15-13-8-6-7-12(11-13)14(17)16-9-4-2-1-3-5-10-16;/h6-8,11H,1-5,9-10,15H2;1H.
What are the key properties of (3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride?
(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119676424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).