(3-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride

C15H23ClN2O — CID 119803719

IUPAC(3-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride
SMILESCC1(C)CCCN(C(=O)c2cccc(N)c2)CC1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-15(2)7-4-9-17(10-8-15)14(18)12-5-3-6-13(16)11-12;/h3,5-6,11H,4,7-10,16H2,1-2H3;1H
InChIKeyFENNNAJMCXIXAT-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.34
Rot. Bonds1

About (3-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride

(3-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride (PubChem CID 119803719) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is (3-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride
PubChem CID119803719
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name(3-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride
SMILESCC1(C)CCCN(C(=O)c2cccc(N)c2)CC1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-15(2)7-4-9-17(10-8-15)14(18)12-5-3-6-13(16)11-12;/h3,5-6,11H,4,7-10,16H2,1-2H3;1H
InChIKeyFENNNAJMCXIXAT-UHFFFAOYSA-N
XLogP3.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.34
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

(3-aminophenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 119734697
(3-aminophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81095901
(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
(4-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283849
(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 19842351
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
(4,4-dimethylpiperidin-1-yl)-(3-sulfanylphenyl)methanone
CID 107028906
(3-aminophenyl)-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119747861
(3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride
CID 119741661
2-[1-(3-aminobenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 119735039
3H-benzimidazol-5-yl-(4,4-dimethylazepan-1-yl)methanone
CID 65282069
(3-amino-5-ethoxyphenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 81094273

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride?
The IUPAC name of (3-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride (CID 119803719) is (3-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride is CC1(C)CCCN(C(=O)c2cccc(N)c2)CC1.Cl.
What is the InChIKey of (3-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride?
The InChIKey is FENNNAJMCXIXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-15(2)7-4-9-17(10-8-15)14(18)12-5-3-6-13(16)11-12;/h3,5-6,11H,4,7-10,16H2,1-2H3;1H.
What are the key properties of (3-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride?
(3-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119803719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).