N,N-dimethyl-3-(4-phenyl-2,3-dihydro-1H-isoquinolin-4-yl)propan-1-amine

C20H26N2 — CID 19028936

IUPACN,N-dimethyl-3-(4-phenyl-2,3-dihydro-1H-isoquinolin-4-yl)propan-1-amine
SMILESCN(C)CCCC1(c2ccccc2)CNCc2ccccc21
InChIInChI=1S/C20H26N2/c1-22(2)14-8-13-20(18-10-4-3-5-11-18)16-21-15-17-9-6-7-12-19(17)20/h3-7,9-12,21H,8,13-16H2,1-2H3
InChIKeyWMSVHQMGVLAJKG-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.42
Rot. Bonds5

About N,N-dimethyl-3-(4-phenyl-2,3-dihydro-1H-isoquinolin-4-yl)propan-1-amine

N,N-dimethyl-3-(4-phenyl-2,3-dihydro-1H-isoquinolin-4-yl)propan-1-amine (PubChem CID 19028936) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-phenyl-2,3-dihydro-1H-isoquinolin-4-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-phenyl-2,3-dihydro-1H-isoquinolin-4-yl)propan-1-amine
PubChem CID19028936
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC NameN,N-dimethyl-3-(4-phenyl-2,3-dihydro-1H-isoquinolin-4-yl)propan-1-amine
SMILESCN(C)CCCC1(c2ccccc2)CNCc2ccccc21
InChIInChI=1S/C20H26N2/c1-22(2)14-8-13-20(18-10-4-3-5-11-18)16-21-15-17-9-6-7-12-19(17)20/h3-7,9-12,21H,8,13-16H2,1-2H3
InChIKeyWMSVHQMGVLAJKG-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(dimethylamino)propyl]-2-methyl-2-phenyl-3H-inden-1-ol
CID 54569123
N,N-dimethyl-3-(4-phenyl-1H-quinazolin-4-yl)propan-1-amine
CID 165353593
5-[3-(dimethylamino)propyl]-6,6-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-ol
CID 24834898
N,N-dimethyl-2-(3-methyl-1,2-dihydroindol-3-yl)ethanamine;ethane
CID 143140765
N,N-dimethyl-3-(1-pentyl-3H-2-benzofuran-1-yl)propan-1-amine
CID 70410912
5-[3-(dimethylamino)propyl]-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione;hydrochloride
CID 3035304
N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroisoquinolin-4-yl)propane-1,3-diamine
CID 63940726
propane;spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
CID 123656510
4-[2-[di(propan-2-yl)amino]ethyl]-4-phenyl-2,3-dihydroisoquinoline-1-thione
CID 21445584
2'-methylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 167309537
(5R,6S)-5-[3-(dimethylamino)propyl]-6-(4-fluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 66934090
3-[1-(3-fluorophenyl)-3,4-dihydroisochromen-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride
CID 132777437

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-phenyl-2,3-dihydro-1H-isoquinolin-4-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(4-phenyl-2,3-dihydro-1H-isoquinolin-4-yl)propan-1-amine (CID 19028936) is N,N-dimethyl-3-(4-phenyl-2,3-dihydro-1H-isoquinolin-4-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(4-phenyl-2,3-dihydro-1H-isoquinolin-4-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(4-phenyl-2,3-dihydro-1H-isoquinolin-4-yl)propan-1-amine is CN(C)CCCC1(c2ccccc2)CNCc2ccccc21.
What is the InChIKey of N,N-dimethyl-3-(4-phenyl-2,3-dihydro-1H-isoquinolin-4-yl)propan-1-amine?
The InChIKey is WMSVHQMGVLAJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-22(2)14-8-13-20(18-10-4-3-5-11-18)16-21-15-17-9-6-7-12-19(17)20/h3-7,9-12,21H,8,13-16H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(4-phenyl-2,3-dihydro-1H-isoquinolin-4-yl)propan-1-amine?
N,N-dimethyl-3-(4-phenyl-2,3-dihydro-1H-isoquinolin-4-yl)propan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-phenyl-2,3-dihydro-1H-isoquinolin-4-yl)propan-1-amine is sourced from PubChem (CID 19028936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).