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

C18H20N2 — CID 3068618

IUPACN-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine
SMILESCNCCC1Cc2ccccc2C(c2ccccc2)=N1
InChIInChI=1S/C18H20N2/c1-19-12-11-16-13-15-9-5-6-10-17(15)18(20-16)14-7-3-2-4-8-14/h2-10,16,19H,11-13H2,1H3
InChIKeyTWDAUOYNEIAKBF-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.06
Rot. Bonds4

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

N-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine (PubChem CID 3068618) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine
PubChem CID3068618
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC NameN-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine
SMILESCNCCC1Cc2ccccc2C(c2ccccc2)=N1
InChIInChI=1S/C18H20N2/c1-19-12-11-16-13-15-9-5-6-10-17(15)18(20-16)14-7-3-2-4-8-14/h2-10,16,19H,11-13H2,1H3
InChIKeyTWDAUOYNEIAKBF-UHFFFAOYSA-N
XLogP3.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Dihydro-1-(phenylmethyl)isoquinoline
CID 32719
1-Phenyl-3,4-dihydroisoquinoline
CID 609926
1-Benzyl-3,4-dihydroisoquinoline hydrochloride
CID 45048805
3-Methyl-1-phenethyl-3,4-dihydroisoquinoline hydrochloride
CID 24747746
3-Hexanimine, 5-(N,N-dimethylamino)methyl-4,4-diphenyl-, hydrochloride
CID 21434
N~1~-[bis(2-methylphenyl)methylene]-N~3~,N~3~-dimethyl-1,3-propanediamine
CID 15945458
2-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine
CID 21483778
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)propan-1-amine
CID 21483800
N-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethanamine
CID 21483811
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)propan-1-amine
CID 21483836
Isoquinoline, 3,4-dihydro-1-methyl-6-phenyl-, hydrochloride
CID 32403
N,N-Dimethyl-1-(1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine
CID 3068603

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine?
The IUPAC name of N-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine (CID 3068618) is N-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine?
The canonical SMILES for N-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine is CNCCC1Cc2ccccc2C(c2ccccc2)=N1.
What is the InChIKey of N-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine?
The InChIKey is TWDAUOYNEIAKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-19-12-11-16-13-15-9-5-6-10-17(15)18(20-16)14-7-3-2-4-8-14/h2-10,16,19H,11-13H2,1H3.
What are the key properties of N-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine?
N-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine has a molecular weight of 264.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine is sourced from PubChem (CID 3068618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).