(Z)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylbut-3-en-1-amine

C19H22N2 — CID 82043537

IUPAC(Z)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylbut-3-en-1-amine
SMILESNCC(/C=C\c1ccccc1)N1CCc2ccccc2C1
InChIInChI=1S/C19H22N2/c20-14-19(11-10-16-6-2-1-3-7-16)21-13-12-17-8-4-5-9-18(17)15-21/h1-11,19H,12-15,20H2/b11-10-
InChIKeyFIOZYKBNGKZUOI-KHPPLWFESA-N
MW278.40 g/mol
LogP3.09
Rot. Bonds4

About (Z)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylbut-3-en-1-amine

(Z)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylbut-3-en-1-amine (PubChem CID 82043537) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (Z)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylbut-3-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylbut-3-en-1-amine
PubChem CID82043537
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name(Z)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylbut-3-en-1-amine
SMILESNCC(/C=C\c1ccccc1)N1CCc2ccccc2C1
InChIInChI=1S/C19H22N2/c20-14-19(11-10-16-6-2-1-3-7-16)21-13-12-17-8-4-5-9-18(17)15-21/h1-11,19H,12-15,20H2/b11-10-
InChIKeyFIOZYKBNGKZUOI-KHPPLWFESA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylbut-3-en-1-amine?
The IUPAC name of (Z)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylbut-3-en-1-amine (CID 82043537) is (Z)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylbut-3-en-1-amine.
What is the SMILES notation for (Z)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylbut-3-en-1-amine?
The canonical SMILES for (Z)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylbut-3-en-1-amine is NCC(/C=C\c1ccccc1)N1CCc2ccccc2C1.
What is the InChIKey of (Z)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylbut-3-en-1-amine?
The InChIKey is FIOZYKBNGKZUOI-KHPPLWFESA-N. The full InChI is InChI=1S/C19H22N2/c20-14-19(11-10-16-6-2-1-3-7-16)21-13-12-17-8-4-5-9-18(17)15-21/h1-11,19H,12-15,20H2/b11-10-.
What are the key properties of (Z)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylbut-3-en-1-amine?
(Z)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylbut-3-en-1-amine has a molecular weight of 278.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylbut-3-en-1-amine is sourced from PubChem (CID 82043537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).