(4-amino-3-methylphenyl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone

C18H26N2O — CID 60945512

IUPAC(4-amino-3-methylphenyl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(C)C3CCCCC32)ccc1N
InChIInChI=1S/C18H26N2O/c1-12-9-10-20(17-6-4-3-5-15(12)17)18(21)14-7-8-16(19)13(2)11-14/h7-8,11-12,15,17H,3-6,9-10,19H2,1-2H3
InChIKeyJKWYLFSDLIENNE-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.62
Rot. Bonds1

About (4-amino-3-methylphenyl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone

(4-amino-3-methylphenyl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone (PubChem CID 60945512) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (4-amino-3-methylphenyl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methylphenyl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
PubChem CID60945512
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(4-amino-3-methylphenyl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(C)C3CCCCC32)ccc1N
InChIInChI=1S/C18H26N2O/c1-12-9-10-20(17-6-4-3-5-15(12)17)18(21)14-7-8-16(19)13(2)11-14/h7-8,11-12,15,17H,3-6,9-10,19H2,1-2H3
InChIKeyJKWYLFSDLIENNE-UHFFFAOYSA-N
XLogP3.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (4-amino-3-methylphenyl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(3-bromo-4-chlorophenyl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 107999426
(4-amino-3-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62123341
(5-amino-2-methylphenyl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 61289860
[2-(aminomethyl)-4-pyridinyl]-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 114326014
2-[2-methoxy-4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)phenoxy]acetamide
CID 71889428
N-[4-[(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]phenyl]benzenesulfonamide
CID 51724472
6-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one
CID 55874191
[(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-aminopyrazin-2-yl)methanone
CID 97092506
1-(3-amino-4-methylbenzoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102780395
(4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 30076126
(2-cyclopentylpyrrolidin-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone
CID 63211657
(4-amino-3-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103821216

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylphenyl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (4-amino-3-methylphenyl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone (CID 60945512) is (4-amino-3-methylphenyl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-methylphenyl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (4-amino-3-methylphenyl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone is Cc1cc(C(=O)N2CCC(C)C3CCCCC32)ccc1N.
What is the InChIKey of (4-amino-3-methylphenyl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone?
The InChIKey is JKWYLFSDLIENNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12-9-10-20(17-6-4-3-5-15(12)17)18(21)14-7-8-16(19)13(2)11-14/h7-8,11-12,15,17H,3-6,9-10,19H2,1-2H3.
What are the key properties of (4-amino-3-methylphenyl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone?
(4-amino-3-methylphenyl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone has a molecular weight of 286.42 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylphenyl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 60945512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).