6-methyl-1-phenyl-3,4,4a,5-tetrahydro-2H-quinoline

C16H19N — CID 176907812

IUPAC6-methyl-1-phenyl-3,4,4a,5-tetrahydro-2H-quinoline
SMILESCC1=CC=C2C(CCCN2c2ccccc2)C1
InChIInChI=1S/C16H19N/c1-13-9-10-16-14(12-13)6-5-11-17(16)15-7-3-2-4-8-15/h2-4,7-10,14H,5-6,11-12H2,1H3
InChIKeyPZOWLCXBZIQVPB-UHFFFAOYSA-N
MW225.34 g/mol
LogP4.14
Rot. Bonds1

About 6-methyl-1-phenyl-3,4,4a,5-tetrahydro-2H-quinoline

6-methyl-1-phenyl-3,4,4a,5-tetrahydro-2H-quinoline (PubChem CID 176907812) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 6-methyl-1-phenyl-3,4,4a,5-tetrahydro-2H-quinoline.

Molecular Properties

Compound Name6-methyl-1-phenyl-3,4,4a,5-tetrahydro-2H-quinoline
PubChem CID176907812
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name6-methyl-1-phenyl-3,4,4a,5-tetrahydro-2H-quinoline
SMILESCC1=CC=C2C(CCCN2c2ccccc2)C1
InChIInChI=1S/C16H19N/c1-13-9-10-16-14(12-13)6-5-11-17(16)15-7-3-2-4-8-15/h2-4,7-10,14H,5-6,11-12H2,1H3
InChIKeyPZOWLCXBZIQVPB-UHFFFAOYSA-N
XLogP4.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-1-phenyl-3-propan-2-ylpiperidin-2-one
CID 135182975
1-benzyl-6-ethoxy-3,4,4a,5-tetrahydro-2H-quinoline
CID 163498897
3-(4-methylphenyl)-1,4-diphenyl-1,3-diazepan-2-one
CID 146164427
3-(methylamino)-1-phenylazepan-2-one
CID 20589821
2-cyclohexyl-1-phenyl-4,5-dihydroimidazole
CID 20532038
2-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide
CID 119787596
(2R)-2-(4-methoxyphenyl)-1-phenylpyrrolidine
CID 134967090
1-methylsulfonyl-6-phenylselanyl-3,4,4a,5-tetrahydro-2H-quinoline
CID 163360895
2-methyl-6-[(3S)-1-phenylpiperidin-3-yl]pyrazine
CID 125020783
4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234404
2-phenyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944954
(NE)-N-(3-ethyl-1-phenylpiperidin-2-ylidene)hydroxylamine;hydrochloride
CID 19866581

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-phenyl-3,4,4a,5-tetrahydro-2H-quinoline?
The IUPAC name of 6-methyl-1-phenyl-3,4,4a,5-tetrahydro-2H-quinoline (CID 176907812) is 6-methyl-1-phenyl-3,4,4a,5-tetrahydro-2H-quinoline.
What is the SMILES notation for 6-methyl-1-phenyl-3,4,4a,5-tetrahydro-2H-quinoline?
The canonical SMILES for 6-methyl-1-phenyl-3,4,4a,5-tetrahydro-2H-quinoline is CC1=CC=C2C(CCCN2c2ccccc2)C1.
What is the InChIKey of 6-methyl-1-phenyl-3,4,4a,5-tetrahydro-2H-quinoline?
The InChIKey is PZOWLCXBZIQVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-13-9-10-16-14(12-13)6-5-11-17(16)15-7-3-2-4-8-15/h2-4,7-10,14H,5-6,11-12H2,1H3.
What are the key properties of 6-methyl-1-phenyl-3,4,4a,5-tetrahydro-2H-quinoline?
6-methyl-1-phenyl-3,4,4a,5-tetrahydro-2H-quinoline has a molecular weight of 225.34 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-phenyl-3,4,4a,5-tetrahydro-2H-quinoline is sourced from PubChem (CID 176907812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).