(3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride

C15H23ClN2O — CID 119793415

IUPAC(3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
SMILESCCC1CCCCCN1C(=O)c1cccc(N)c1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-2-14-9-4-3-5-10-17(14)15(18)12-7-6-8-13(16)11-12;/h6-8,11,14H,2-5,9-10,16H2,1H3;1H
InChIKeyINHDPUOJLGNABG-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.49
Rot. Bonds2

About (3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride

(3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride (PubChem CID 119793415) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is (3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
PubChem CID119793415
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name(3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
SMILESCCC1CCCCCN1C(=O)c1cccc(N)c1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-2-14-9-4-3-5-10-17(14)15(18)12-7-6-8-13(16)11-12;/h6-8,11,14H,2-5,9-10,16H2,1H3;1H
InChIKeyINHDPUOJLGNABG-UHFFFAOYSA-N
XLogP3.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.49
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)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973373
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(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
(3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 119676366
(3-aminophenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119865869
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944716
[3-(3-aminoprop-1-ynyl)phenyl]-(2-ethylazepan-1-yl)methanone
CID 104691238
(3-aminophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62885357
3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050358
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(3-bromophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974699
(4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793408

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride?
The IUPAC name of (3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride (CID 119793415) is (3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride is CCC1CCCCCN1C(=O)c1cccc(N)c1.Cl.
What is the InChIKey of (3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride?
The InChIKey is INHDPUOJLGNABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-2-14-9-4-3-5-10-17(14)15(18)12-7-6-8-13(16)11-12;/h6-8,11,14H,2-5,9-10,16H2,1H3;1H.
What are the key properties of (3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride?
(3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119793415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).