2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine

C17H18N2 — CID 3068616

IUPAC2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine
SMILESNCCC1Cc2ccccc2C(c2ccccc2)=N1
InChIInChI=1S/C17H18N2/c18-11-10-15-12-14-8-4-5-9-16(14)17(19-15)13-6-2-1-3-7-13/h1-9,15H,10-12,18H2
InChIKeyZVBVOPYABKPYKC-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.80
Rot. Bonds3

About 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine

2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine (PubChem CID 3068616) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine
PubChem CID3068616
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine
SMILESNCCC1Cc2ccccc2C(c2ccccc2)=N1
InChIInChI=1S/C17H18N2/c18-11-10-15-12-14-8-4-5-9-16(14)17(19-15)13-6-2-1-3-7-13/h1-9,15H,10-12,18H2
InChIKeyZVBVOPYABKPYKC-UHFFFAOYSA-N
XLogP2.80
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride
CID 3068617
3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline;hydrate
CID 21154541
N,N-dimethyl-2-[1-(3-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine
CID 3068648
2-[1-(3-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;hydrochloride
CID 21154554
N,N-dimethyl-2-[1-(4-nitrophenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine;dihydrochloride
CID 3068653
2-[1-(2-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;hydrate;hydrochloride
CID 21154553
2-(2,3-dihydro-1H-indol-2-yl)-4-phenyl-1,2-dihydroquinazoline
CID 70937351
(11R)-11-amino-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one
CID 10084879
2-(13-phenyl-2-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,13,17,19,21-nonaen-2-yl)ethanamine
CID 3600714
(2,6-diphenylphenyl)methanamine
CID 72713892
ethane-1,2-diamine;9H-fluorene
CID 159422270
3-(3-phenylphenyl)-3,4-dihydroisoquinolin-1-amine
CID 16730840

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine?
The IUPAC name of 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine (CID 3068616) is 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine.
What is the SMILES notation for 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine?
The canonical SMILES for 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine is NCCC1Cc2ccccc2C(c2ccccc2)=N1.
What is the InChIKey of 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine?
The InChIKey is ZVBVOPYABKPYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c18-11-10-15-12-14-8-4-5-9-16(14)17(19-15)13-6-2-1-3-7-13/h1-9,15H,10-12,18H2.
What are the key properties of 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine?
2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine has a molecular weight of 250.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine is sourced from PubChem (CID 3068616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).