6-N-methyl-6-N-[(3-methylphenyl)methyl]isoquinoline-5,6-diamine

C18H19N3 — CID 106947745

IUPAC6-N-methyl-6-N-[(3-methylphenyl)methyl]isoquinoline-5,6-diamine
SMILESCc1cccc(CN(C)c2ccc3cnccc3c2N)c1
InChIInChI=1S/C18H19N3/c1-13-4-3-5-14(10-13)12-21(2)17-7-6-15-11-20-9-8-16(15)18(17)19/h3-11H,12,19H2,1-2H3
InChIKeyQFNZSRRMFNPBFX-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.76
Rot. Bonds3

About 6-N-methyl-6-N-[(3-methylphenyl)methyl]isoquinoline-5,6-diamine

6-N-methyl-6-N-[(3-methylphenyl)methyl]isoquinoline-5,6-diamine (PubChem CID 106947745) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-N-methyl-6-N-[(3-methylphenyl)methyl]isoquinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-methyl-6-N-[(3-methylphenyl)methyl]isoquinoline-5,6-diamine
PubChem CID106947745
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name6-N-methyl-6-N-[(3-methylphenyl)methyl]isoquinoline-5,6-diamine
SMILESCc1cccc(CN(C)c2ccc3cnccc3c2N)c1
InChIInChI=1S/C18H19N3/c1-13-4-3-5-14(10-13)12-21(2)17-7-6-15-11-20-9-8-16(15)18(17)19/h3-11H,12,19H2,1-2H3
InChIKeyQFNZSRRMFNPBFX-UHFFFAOYSA-N
XLogP3.76
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-N-methyl-6-N-[(3-methylphenyl)methyl]isoquinoline-5,6-diamine 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

6-N-[(3-bromophenyl)methyl]-6-N-methylisoquinoline-5,6-diamine
CID 106947750
6-N-[(4-fluorophenyl)methyl]-6-N-methylisoquinoline-5,6-diamine
CID 106947676
3-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine
CID 81246098
6-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]isoquinoline-5,6-diamine
CID 106948056
6-N-methyl-6-N-(2-methylsulfanylethyl)isoquinoline-5,6-diamine
CID 106948345
N-methyl-3-(methylaminomethyl)-N-[(3-methylphenyl)methyl]pyridin-4-amine
CID 81246986
2-iodo-1-N-methyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-diamine
CID 66093340
4-N-methyl-4-N-[(3-methylphenyl)methyl]quinoline-4,7-diamine
CID 103000600
4-N-methyl-4-N-[(3-methylphenyl)methyl]-1H-pyrazole-4,5-diamine
CID 82236914
2-N-methyl-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 116796777
N-methyl-N-[(3-methylphenyl)methyl]-3-(propylaminomethyl)pyridin-4-amine
CID 81253106
6-N-ethyl-6-N-(3-fluorophenyl)isoquinoline-5,6-diamine
CID 106947935

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-[(3-methylphenyl)methyl]isoquinoline-5,6-diamine?
The IUPAC name of 6-N-methyl-6-N-[(3-methylphenyl)methyl]isoquinoline-5,6-diamine (CID 106947745) is 6-N-methyl-6-N-[(3-methylphenyl)methyl]isoquinoline-5,6-diamine.
What is the SMILES notation for 6-N-methyl-6-N-[(3-methylphenyl)methyl]isoquinoline-5,6-diamine?
The canonical SMILES for 6-N-methyl-6-N-[(3-methylphenyl)methyl]isoquinoline-5,6-diamine is Cc1cccc(CN(C)c2ccc3cnccc3c2N)c1.
What is the InChIKey of 6-N-methyl-6-N-[(3-methylphenyl)methyl]isoquinoline-5,6-diamine?
The InChIKey is QFNZSRRMFNPBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-4-3-5-14(10-13)12-21(2)17-7-6-15-11-20-9-8-16(15)18(17)19/h3-11H,12,19H2,1-2H3.
What are the key properties of 6-N-methyl-6-N-[(3-methylphenyl)methyl]isoquinoline-5,6-diamine?
6-N-methyl-6-N-[(3-methylphenyl)methyl]isoquinoline-5,6-diamine has a molecular weight of 277.37 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-[(3-methylphenyl)methyl]isoquinoline-5,6-diamine is sourced from PubChem (CID 106947745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).