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

C18H21N — CID 142167695

IUPAC4-phenyl-2-propyl-3,4-dihydro-1H-isoquinoline
SMILESCCCN1Cc2ccccc2C(c2ccccc2)C1
InChIInChI=1S/C18H21N/c1-2-12-19-13-16-10-6-7-11-17(16)18(14-19)15-8-4-3-5-9-15/h3-11,18H,2,12-14H2,1H3
InChIKeyJBKCEAWRDBMNSN-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.04
Rot. Bonds3

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

4-phenyl-2-propyl-3,4-dihydro-1H-isoquinoline (PubChem CID 142167695) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-phenyl-2-propyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-phenyl-2-propyl-3,4-dihydro-1H-isoquinoline
PubChem CID142167695
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name4-phenyl-2-propyl-3,4-dihydro-1H-isoquinoline
SMILESCCCN1Cc2ccccc2C(c2ccccc2)C1
InChIInChI=1S/C18H21N/c1-2-12-19-13-16-10-6-7-11-17(16)18(14-19)15-8-4-3-5-9-15/h3-11,18H,2,12-14H2,1H3
InChIKeyJBKCEAWRDBMNSN-UHFFFAOYSA-N
XLogP4.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methylsulfanylethyl)-4-phenyl-3,4-dihydro-1H-isoquinoline
CID 112812893
1-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
CID 155141140
3-[2-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-oxazolidin-2-one
CID 56799193
2-chloro-1-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 96582197
2-chloro-1-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 71758717
4-(8-hydroxy-2-propyl-3,4-dihydro-1H-isoquinolin-4-yl)benzene-1,2-diol
CID 20531716
2-(4-ethylsulfonylpiperazin-1-yl)-1-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 86874149
1-phenyl-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]
CID 142167665
3-cyclopropyl-5-[[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,2,4-oxadiazole
CID 36721570
1-ethyl-1-methyl-3-[2-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]urea
CID 59644422
4-(1-benzothiophen-6-yl)-2-ethyl-3,4-dihydro-1H-isoquinoline
CID 68997491
N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 34205711

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-propyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-phenyl-2-propyl-3,4-dihydro-1H-isoquinoline (CID 142167695) is 4-phenyl-2-propyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-phenyl-2-propyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-phenyl-2-propyl-3,4-dihydro-1H-isoquinoline is CCCN1Cc2ccccc2C(c2ccccc2)C1.
What is the InChIKey of 4-phenyl-2-propyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is JBKCEAWRDBMNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-2-12-19-13-16-10-6-7-11-17(16)18(14-19)15-8-4-3-5-9-15/h3-11,18H,2,12-14H2,1H3.
What are the key properties of 4-phenyl-2-propyl-3,4-dihydro-1H-isoquinoline?
4-phenyl-2-propyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 251.37 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-propyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 142167695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).