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

C22H30N2 — CID 24901527

IUPAC3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpropan-1-amine
SMILESCc1ccc2c(c1C)CN(CCCN(C)C)CC2c1ccccc1
InChIInChI=1S/C22H30N2/c1-17-11-12-20-21(18(17)2)15-24(14-8-13-23(3)4)16-22(20)19-9-6-5-7-10-19/h5-7,9-12,22H,8,13-16H2,1-4H3
InChIKeyQNIBXHMRWRBTKT-UHFFFAOYSA-N
MW322.50 g/mol
LogP4.20
Rot. Bonds5

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

3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpropan-1-amine (PubChem CID 24901527) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpropan-1-amine
PubChem CID24901527
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpropan-1-amine
SMILESCc1ccc2c(c1C)CN(CCCN(C)C)CC2c1ccccc1
InChIInChI=1S/C22H30N2/c1-17-11-12-20-21(18(17)2)15-24(14-8-13-23(3)4)16-22(20)19-9-6-5-7-10-19/h5-7,9-12,22H,8,13-16H2,1-4H3
InChIKeyQNIBXHMRWRBTKT-UHFFFAOYSA-N
XLogP4.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpropan-1-amine with MolForge

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Related Compounds

Butenafine
CID 2484
Naftifine
CID 47641
Butenafine Hydrochloride
CID 443867
2-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 15362
1-Benzyl-2-methyl-1,2,3,4-tetrahydroisoquinoline
CID 440630
7-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 13805378
2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline
CID 3057770
3,4-Dihydro-1'-(phenylmethyl)spiro(naphthalene-1(2H),4'-piperidine)
CID 125328
Mcn 4612
CID 135949
6-Phenyl-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinoline
CID 13202963
1'-benzylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]
CID 45487178
1-Methyl-4-(naphthalen-2-ylmethyl)piperazine
CID 765796

Frequently Asked Questions

What is the IUPAC name of 3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpropan-1-amine (CID 24901527) is 3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpropan-1-amine is Cc1ccc2c(c1C)CN(CCCN(C)C)CC2c1ccccc1.
What is the InChIKey of 3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is QNIBXHMRWRBTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2/c1-17-11-12-20-21(18(17)2)15-24(14-8-13-23(3)4)16-22(20)19-9-6-5-7-10-19/h5-7,9-12,22H,8,13-16H2,1-4H3.
What are the key properties of 3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpropan-1-amine?
3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 322.50 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 24901527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).