(2-amino-6-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone

C18H26N2O — CID 61110649

IUPAC(2-amino-6-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone
SMILESCc1cccc(N)c1C(=O)N1CCCC1C1CCCCC1
InChIInChI=1S/C18H26N2O/c1-13-7-5-10-15(19)17(13)18(21)20-12-6-11-16(20)14-8-3-2-4-9-14/h5,7,10,14,16H,2-4,6,8-9,11-12,19H2,1H3
InChIKeySWJLIIMPPJNZAM-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.76
Rot. Bonds2

About (2-amino-6-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone

(2-amino-6-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone (PubChem CID 61110649) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (2-amino-6-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone
PubChem CID61110649
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(2-amino-6-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone
SMILESCc1cccc(N)c1C(=O)N1CCCC1C1CCCCC1
InChIInChI=1S/C18H26N2O/c1-13-7-5-10-15(19)17(13)18(21)20-12-6-11-16(20)14-8-3-2-4-9-14/h5,7,10,14,16H,2-4,6,8-9,11-12,19H2,1H3
InChIKeySWJLIIMPPJNZAM-UHFFFAOYSA-N
XLogP3.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.76
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

[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-amino-2-methylphenyl)methanone
CID 102725146
(2-amino-6-methylphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83053615
(2-amino-6-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 43575482
(3-amino-2-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 104742142
(2-amino-6-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211671
(3-aminophenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone;hydrochloride
CID 119721797
(3-amino-2,6-difluorophenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 79758114
(2-methylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 60979228
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829954
(2,6-dihydroxyphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 107688521
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-fluoro-3-methylphenyl)methanone
CID 80711637
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(4-aminophenyl)methanone
CID 90935623

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-amino-6-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone (CID 61110649) is (2-amino-6-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-amino-6-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-amino-6-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone is Cc1cccc(N)c1C(=O)N1CCCC1C1CCCCC1.
What is the InChIKey of (2-amino-6-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone?
The InChIKey is SWJLIIMPPJNZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-7-5-10-15(19)17(13)18(21)20-12-6-11-16(20)14-8-3-2-4-9-14/h5,7,10,14,16H,2-4,6,8-9,11-12,19H2,1H3.
What are the key properties of (2-amino-6-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone?
(2-amino-6-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone has a molecular weight of 286.42 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 61110649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).