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

C19H22N2 — CID 3068620

IUPACN,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine
SMILESCN(C)CCC1Cc2ccccc2C(c2ccccc2)=N1
InChIInChI=1S/C19H22N2/c1-21(2)13-12-17-14-16-10-6-7-11-18(16)19(20-17)15-8-4-3-5-9-15/h3-11,17H,12-14H2,1-2H3
InChIKeyRNTAQRJCOOQWTN-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.40
Rot. Bonds4

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

N,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine (PubChem CID 3068620) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine
PubChem CID3068620
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC NameN,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine
SMILESCN(C)CCC1Cc2ccccc2C(c2ccccc2)=N1
InChIInChI=1S/C19H22N2/c1-21(2)13-12-17-14-16-10-6-7-11-18(16)19(20-17)15-8-4-3-5-9-15/h3-11,17H,12-14H2,1-2H3
InChIKeyRNTAQRJCOOQWTN-UHFFFAOYSA-N
XLogP3.40
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
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-Methyl-3,4-dihydroisoquinoline
CID 231502
1-Benzyl-3,4-dihydroisoquinoline hydrochloride
CID 45048805
2-Ethyl-1,5-dimethyl-3,3-diphenylpyrrolinium
CID 10110164
3-Methyl-1-phenethyl-3,4-dihydroisoquinoline hydrochloride
CID 24747746
Pyrazine, 2,3-dihydro-5,6-diphenyl-2-methyl-
CID 98291
1-Phenyl-3,4-dihydroisoquinoline hydrochloride
CID 12220823
N-[3-(dimethylamino)propyl]-N-[(2,6-dimethylphenyl)(phenyl)methylene]amine
CID 15945547
N-[2-(dimethylamino)ethyl]-N-[(2,6-dimethylphenyl)(phenyl)methylene]amine
CID 23723121
1-(3-Cyanopropyl)-2,3,3-trimethyl-3,4-dihydroisoquinolin-2-ium iodide
CID 3078426
N~1~-[bis(2-methylphenyl)methylene]-N~3~,N~3~-dimethyl-1,3-propanediamine
CID 15945458

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine (CID 3068620) is N,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine is CN(C)CCC1Cc2ccccc2C(c2ccccc2)=N1.
What is the InChIKey of N,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine?
The InChIKey is RNTAQRJCOOQWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-21(2)13-12-17-14-16-10-6-7-11-18(16)19(20-17)15-8-4-3-5-9-15/h3-11,17H,12-14H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine?
N,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine has a molecular weight of 278.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine is sourced from PubChem (CID 3068620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).