4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-3,4-diamine

C18H19N3 — CID 103962894

IUPAC4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-3,4-diamine
SMILESCc1ccccc1CN(C)c1c(N)cnc2ccccc12
InChIInChI=1S/C18H19N3/c1-13-7-3-4-8-14(13)12-21(2)18-15-9-5-6-10-17(15)20-11-16(18)19/h3-11H,12,19H2,1-2H3
InChIKeyIWHZMNSWZUETCV-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.76
Rot. Bonds3

About 4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-3,4-diamine

4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-3,4-diamine (PubChem CID 103962894) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-3,4-diamine
PubChem CID103962894
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-3,4-diamine
SMILESCc1ccccc1CN(C)c1c(N)cnc2ccccc12
InChIInChI=1S/C18H19N3/c1-13-7-3-4-8-14(13)12-21(2)18-15-9-5-6-10-17(15)20-11-16(18)19/h3-11H,12,19H2,1-2H3
InChIKeyIWHZMNSWZUETCV-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

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Related Compounds

4-N-methyl-4-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine
CID 103962883
4-N-(2,2-dimethylpropyl)-4-N-methylquinoline-3,4-diamine
CID 113359417
4-N-(2-methoxyethyl)-4-N-methylquinoline-3,4-diamine
CID 113359409
3-[(3-aminoquinolin-4-yl)-methylamino]propanenitrile
CID 103962717
4-N-ethyl-4-N-(2-methylphenyl)quinoline-3,4-diamine
CID 103962715
2-[(3-aminoquinolin-4-yl)-methylamino]-N-methylacetamide
CID 103962855
2-chloro-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,5-diamine
CID 114043611
4-N-methyl-4-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747324
N-[(2-aminophenyl)methyl]-N-methylquinazolin-4-amine
CID 60894383
2-[(3-aminoquinolin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 103963088
4-N-(cyclopropylmethyl)-4-N-propan-2-ylquinoline-3,4-diamine
CID 103963106
4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 28894681

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-3,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-3,4-diamine (CID 103962894) is 4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-3,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-3,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-3,4-diamine is Cc1ccccc1CN(C)c1c(N)cnc2ccccc12.
What is the InChIKey of 4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-3,4-diamine?
The InChIKey is IWHZMNSWZUETCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-7-3-4-8-14(13)12-21(2)18-15-9-5-6-10-17(15)20-11-16(18)19/h3-11H,12,19H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-3,4-diamine?
4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-3,4-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 4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-3,4-diamine is sourced from PubChem (CID 103962894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).