2-methyl-N,N-diphenyl-3,4-dihydro-1H-isoquinolin-5-amine

C22H22N2 — CID 174930590

IUPAC2-methyl-N,N-diphenyl-3,4-dihydro-1H-isoquinolin-5-amine
SMILESCN1CCc2c(cccc2N(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H22N2/c1-23-16-15-21-18(17-23)9-8-14-22(21)24(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14H,15-17H2,1H3
InChIKeyMITXGGMGYQMPTP-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.14
Rot. Bonds3

About 2-methyl-N,N-diphenyl-3,4-dihydro-1H-isoquinolin-5-amine

2-methyl-N,N-diphenyl-3,4-dihydro-1H-isoquinolin-5-amine (PubChem CID 174930590) has the molecular formula C22H22N2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-methyl-N,N-diphenyl-3,4-dihydro-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name2-methyl-N,N-diphenyl-3,4-dihydro-1H-isoquinolin-5-amine
PubChem CID174930590
Molecular FormulaC22H22N2
Molecular Weight314.43 g/mol
Exact Mass314.18
IUPAC Name2-methyl-N,N-diphenyl-3,4-dihydro-1H-isoquinolin-5-amine
SMILESCN1CCc2c(cccc2N(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H22N2/c1-23-16-15-21-18(17-23)9-8-14-22(21)24(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14H,15-17H2,1H3
InChIKeyMITXGGMGYQMPTP-UHFFFAOYSA-N
XLogP5.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N,N-diphenyl-3,4-dihydro-1H-isoquinolin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

actinium;(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)azanide
CID 20633083
2-methyl-3,4-dihydro-1H-isoquinoline-5-carbonitrile
CID 14528786
methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116
5-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 11790021
methanol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 142001874
1-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)propan-2-ol
CID 105457923
2-methyl-3,4-dihydro-1H-isoquinoline;propane;prop-1-ene
CID 143297681
2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]ethanamine
CID 84674560
4-butoxy-N-chloro-3-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
CID 18687474
N-[4-[2-(4-methylphenyl)ethenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 54210687
5-N,5-N,11-N,11-N,13-N,13-N,15-N,15-N-octakis-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene-5,11,13,15-tetramine
CID 20767384
17-methyl-17-azatetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2,4,6,8,10,12-heptaene
CID 12566036

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,N-diphenyl-3,4-dihydro-1H-isoquinolin-5-amine?
The IUPAC name of 2-methyl-N,N-diphenyl-3,4-dihydro-1H-isoquinolin-5-amine (CID 174930590) is 2-methyl-N,N-diphenyl-3,4-dihydro-1H-isoquinolin-5-amine.
What is the SMILES notation for 2-methyl-N,N-diphenyl-3,4-dihydro-1H-isoquinolin-5-amine?
The canonical SMILES for 2-methyl-N,N-diphenyl-3,4-dihydro-1H-isoquinolin-5-amine is CN1CCc2c(cccc2N(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 2-methyl-N,N-diphenyl-3,4-dihydro-1H-isoquinolin-5-amine?
The InChIKey is MITXGGMGYQMPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2/c1-23-16-15-21-18(17-23)9-8-14-22(21)24(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14H,15-17H2,1H3.
What are the key properties of 2-methyl-N,N-diphenyl-3,4-dihydro-1H-isoquinolin-5-amine?
2-methyl-N,N-diphenyl-3,4-dihydro-1H-isoquinolin-5-amine has a molecular weight of 314.43 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-diphenyl-3,4-dihydro-1H-isoquinolin-5-amine is sourced from PubChem (CID 174930590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).