2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinoline

C18H19N — CID 4021995

IUPAC2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinoline
SMILESC(=Cc1ccccc1)CN1CCc2ccccc2C1
InChIInChI=1S/C18H19N/c1-2-7-16(8-3-1)9-6-13-19-14-12-17-10-4-5-11-18(17)15-19/h1-11H,12-15H2
InChIKeyNGTBVPMVXAYHJZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.76
Rot. Bonds3

About 2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinoline

2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 4021995) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinoline
PubChem CID4021995
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinoline
SMILESC(=Cc1ccccc1)CN1CCc2ccccc2C1
InChIInChI=1S/C18H19N/c1-2-7-16(8-3-1)9-6-13-19-14-12-17-10-4-5-11-18(17)15-19/h1-11H,12-15H2
InChIKeyNGTBVPMVXAYHJZ-UHFFFAOYSA-N
XLogP3.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3,4-dihydro-1H-isoquinolin-2-yl)but-2-enoic acid
CID 76940722
5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-hydroxy-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]pyran-2-one
CID 71829680
2-methyl-6-(3-phenylprop-2-enyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 154740584
3-[(E)-3-(1,3-dihydroisoindol-2-yl)prop-1-enyl]phenol
CID 22770542
1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylprop-2-enyl)piperazine
CID 23940986
[4-[(Z)-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-enyl]-2-methoxyphenyl] acetate
CID 74224118
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
1-(3-phenylprop-2-enyl)imidazolidine
CID 161124295
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbut-2-enoic acid
CID 77076186
3-methyl-2-phenyl-5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 89098096
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
6-[[2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide
CID 91297497

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinoline (CID 4021995) is 2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinoline is C(=Cc1ccccc1)CN1CCc2ccccc2C1.
What is the InChIKey of 2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is NGTBVPMVXAYHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-2-7-16(8-3-1)9-6-13-19-14-12-17-10-4-5-11-18(17)15-19/h1-11H,12-15H2.
What are the key properties of 2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinoline?
2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 249.36 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 4021995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).