2-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine

C19H24N2 — CID 24901523

IUPAC2-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
SMILESCc1ccc2c(c1C)CN(CCN)CC2c1ccccc1
InChIInChI=1S/C19H24N2/c1-14-8-9-17-18(15(14)2)12-21(11-10-20)13-19(17)16-6-4-3-5-7-16/h3-9,19H,10-13,20H2,1-2H3
InChIKeyUQSPLCZWTHEZMX-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.21
Rot. Bonds3

About 2-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine

2-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine (PubChem CID 24901523) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
PubChem CID24901523
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name2-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
SMILESCc1ccc2c(c1C)CN(CCN)CC2c1ccccc1
InChIInChI=1S/C19H24N2/c1-14-8-9-17-18(15(14)2)12-21(11-10-20)13-19(17)16-6-4-3-5-7-16/h3-9,19H,10-13,20H2,1-2H3
InChIKeyUQSPLCZWTHEZMX-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
The IUPAC name of 2-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine (CID 24901523) is 2-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine.
What is the SMILES notation for 2-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
The canonical SMILES for 2-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine is Cc1ccc2c(c1C)CN(CCN)CC2c1ccccc1.
What is the InChIKey of 2-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
The InChIKey is UQSPLCZWTHEZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-14-8-9-17-18(15(14)2)12-21(11-10-20)13-19(17)16-6-4-3-5-7-16/h3-9,19H,10-13,20H2,1-2H3.
What are the key properties of 2-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
2-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine has a molecular weight of 280.42 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine is sourced from PubChem (CID 24901523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).