1-butyl-2-phenyl-3,4-dihydro-1H-isoquinoline

C19H23N — CID 132543559

IUPAC1-butyl-2-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCCCCC1c2ccccc2CCN1c1ccccc1
InChIInChI=1S/C19H23N/c1-2-3-13-19-18-12-8-7-9-16(18)14-15-20(19)17-10-5-4-6-11-17/h4-12,19H,2-3,13-15H2,1H3
InChIKeyHFPXVBQBKKSIMJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.98
Rot. Bonds4

About 1-butyl-2-phenyl-3,4-dihydro-1H-isoquinoline

1-butyl-2-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 132543559) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-butyl-2-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1-butyl-2-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID132543559
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name1-butyl-2-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCCCCC1c2ccccc2CCN1c1ccccc1
InChIInChI=1S/C19H23N/c1-2-3-13-19-18-12-8-7-9-16(18)14-15-20(19)17-10-5-4-6-11-17/h4-12,19H,2-3,13-15H2,1H3
InChIKeyHFPXVBQBKKSIMJ-UHFFFAOYSA-N
XLogP4.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-[(1S)-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl]hexanenitrile
CID 134953498
(1S)-1-hex-1-ynyl-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 154718084
1-(fluoromethyl)-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 156774963
(1S)-1-pentyl-2-[(1S)-1-phenylethyl]-3,4-dihydro-1H-isoquinoline
CID 132517305
1-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 146165240
1-[2-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]hexan-2-one
CID 71567840
1-(2-methylbutan-2-yl)-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 162415451
S-tert-butyl 2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanethioate
CID 135000085
1-[2-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-1-yl]hexan-2-one
CID 71567842
2-(4-methylphenyl)-1-prop-2-enyl-3,4-dihydro-1H-isoquinoline
CID 134951940
1-(4-fluorophenyl)-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone
CID 132503091
(1R,10bS)-1-butyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinolin-2-one
CID 101198196

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 1-butyl-2-phenyl-3,4-dihydro-1H-isoquinoline (CID 132543559) is 1-butyl-2-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 1-butyl-2-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 1-butyl-2-phenyl-3,4-dihydro-1H-isoquinoline is CCCCC1c2ccccc2CCN1c1ccccc1.
What is the InChIKey of 1-butyl-2-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is HFPXVBQBKKSIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-2-3-13-19-18-12-8-7-9-16(18)14-15-20(19)17-10-5-4-6-11-17/h4-12,19H,2-3,13-15H2,1H3.
What are the key properties of 1-butyl-2-phenyl-3,4-dihydro-1H-isoquinoline?
1-butyl-2-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 265.40 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 132543559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).