6-N-methyl-6-N-[(4-methylphenyl)methyl]quinoline-5,6-diamine

C18H19N3 — CID 43809516

IUPAC6-N-methyl-6-N-[(4-methylphenyl)methyl]quinoline-5,6-diamine
SMILESCc1ccc(CN(C)c2ccc3ncccc3c2N)cc1
InChIInChI=1S/C18H19N3/c1-13-5-7-14(8-6-13)12-21(2)17-10-9-16-15(18(17)19)4-3-11-20-16/h3-11H,12,19H2,1-2H3
InChIKeyBZSAYAJBBXCLDI-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.76
Rot. Bonds3

About 6-N-methyl-6-N-[(4-methylphenyl)methyl]quinoline-5,6-diamine

6-N-methyl-6-N-[(4-methylphenyl)methyl]quinoline-5,6-diamine (PubChem CID 43809516) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-N-methyl-6-N-[(4-methylphenyl)methyl]quinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-methyl-6-N-[(4-methylphenyl)methyl]quinoline-5,6-diamine
PubChem CID43809516
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name6-N-methyl-6-N-[(4-methylphenyl)methyl]quinoline-5,6-diamine
SMILESCc1ccc(CN(C)c2ccc3ncccc3c2N)cc1
InChIInChI=1S/C18H19N3/c1-13-5-7-14(8-6-13)12-21(2)17-10-9-16-15(18(17)19)4-3-11-20-16/h3-11H,12,19H2,1-2H3
InChIKeyBZSAYAJBBXCLDI-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'}

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Related Compounds

6-N-[(4-bromophenyl)methyl]-6-N-methylquinoline-5,6-diamine
CID 61415486
8-N-methyl-8-N-[(4-methylphenyl)methyl]quinoline-5,8-diamine
CID 43450085
2-[(5-aminoquinolin-6-yl)-methylamino]-N,N-dimethylacetamide
CID 43809689
6-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-methylquinoline-5,6-diamine
CID 105414166
6-N-methoxy-6-N-methylquinoline-5,6-diamine
CID 43809762
6-N-methyl-6-N-propan-2-ylquinoline-5,6-diamine
CID 43809487
6-N-methyl-6-N-(3-methylphenyl)quinoline-5,6-diamine
CID 62001678
6-N-methyl-6-N-(3-methylbutan-2-yl)quinoline-5,6-diamine
CID 43809730
6-N-methyl-6-N-(4-methylpentan-2-yl)quinoline-5,6-diamine
CID 55001292
6-N-ethyl-6-N-phenylquinoline-5,6-diamine
CID 43809497
4-iodo-1-N-methyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 66065655
4-fluoro-1-N-methyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 28798518

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-[(4-methylphenyl)methyl]quinoline-5,6-diamine?
The IUPAC name of 6-N-methyl-6-N-[(4-methylphenyl)methyl]quinoline-5,6-diamine (CID 43809516) is 6-N-methyl-6-N-[(4-methylphenyl)methyl]quinoline-5,6-diamine.
What is the SMILES notation for 6-N-methyl-6-N-[(4-methylphenyl)methyl]quinoline-5,6-diamine?
The canonical SMILES for 6-N-methyl-6-N-[(4-methylphenyl)methyl]quinoline-5,6-diamine is Cc1ccc(CN(C)c2ccc3ncccc3c2N)cc1.
What is the InChIKey of 6-N-methyl-6-N-[(4-methylphenyl)methyl]quinoline-5,6-diamine?
The InChIKey is BZSAYAJBBXCLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-5-7-14(8-6-13)12-21(2)17-10-9-16-15(18(17)19)4-3-11-20-16/h3-11H,12,19H2,1-2H3.
What are the key properties of 6-N-methyl-6-N-[(4-methylphenyl)methyl]quinoline-5,6-diamine?
6-N-methyl-6-N-[(4-methylphenyl)methyl]quinoline-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-[(4-methylphenyl)methyl]quinoline-5,6-diamine is sourced from PubChem (CID 43809516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).