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

C17H25ClN2O — CID 119721797

IUPAC(3-aminophenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCl.Nc1cccc(C(=O)N2CCCC2C2CCCCC2)c1
InChIInChI=1S/C17H24N2O.ClH/c18-15-9-4-8-14(12-15)17(20)19-11-5-10-16(19)13-6-2-1-3-7-13;/h4,8-9,12-13,16H,1-3,5-7,10-11,18H2;1H
InChIKeyUIGBWQXEFYZIEL-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.88
Rot. Bonds2

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

(3-aminophenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 119721797) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is (3-aminophenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminophenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID119721797
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name(3-aminophenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCl.Nc1cccc(C(=O)N2CCCC2C2CCCCC2)c1
InChIInChI=1S/C17H24N2O.ClH/c18-15-9-4-8-14(12-15)17(20)19-11-5-10-16(19)13-6-2-1-3-7-13;/h4,8-9,12-13,16H,1-3,5-7,10-11,18H2;1H
InChIKeyUIGBWQXEFYZIEL-UHFFFAOYSA-N
XLogP3.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.88
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-cyclohexylpyrrolidin-1-yl)-(3,5-diaminophenyl)methanone
CID 61108376
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(3-aminophenyl)methanone
CID 54906161
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(4-aminophenyl)methanone
CID 90935623
(3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 119676366
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(3-aminophenyl)methanone;hydrochloride
CID 119788128
(3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793415
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)benzonitrile
CID 17498248
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[3-(chloromethyl)phenyl]methanone
CID 43628135
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3,5-diaminophenyl)methanone
CID 82747271
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(4-amino-3-hydroxyphenyl)methanone
CID 102739427
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-amino-5-methylphenyl)methanone
CID 102725157
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-amino-5-chlorophenyl)methanone
CID 102725169

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of (3-aminophenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone;hydrochloride (CID 119721797) is (3-aminophenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminophenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminophenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone;hydrochloride is Cl.Nc1cccc(C(=O)N2CCCC2C2CCCCC2)c1.
What is the InChIKey of (3-aminophenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is UIGBWQXEFYZIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.ClH/c18-15-9-4-8-14(12-15)17(20)19-11-5-10-16(19)13-6-2-1-3-7-13;/h4,8-9,12-13,16H,1-3,5-7,10-11,18H2;1H.
What are the key properties of (3-aminophenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone;hydrochloride?
(3-aminophenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119721797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).