N-[(4-aminophenyl)methyl]-N,3-dimethylquinolin-2-amine

C18H19N3 — CID 63229274

IUPACN-[(4-aminophenyl)methyl]-N,3-dimethylquinolin-2-amine
SMILESCc1cc2ccccc2nc1N(C)Cc1ccc(N)cc1
InChIInChI=1S/C18H19N3/c1-13-11-15-5-3-4-6-17(15)20-18(13)21(2)12-14-7-9-16(19)10-8-14/h3-11H,12,19H2,1-2H3
InChIKeyKMUVPTPARRBFLB-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.76
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-N,3-dimethylquinolin-2-amine

N-[(4-aminophenyl)methyl]-N,3-dimethylquinolin-2-amine (PubChem CID 63229274) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N,3-dimethylquinolin-2-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N,3-dimethylquinolin-2-amine
PubChem CID63229274
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-[(4-aminophenyl)methyl]-N,3-dimethylquinolin-2-amine
SMILESCc1cc2ccccc2nc1N(C)Cc1ccc(N)cc1
InChIInChI=1S/C18H19N3/c1-13-11-15-5-3-4-6-17(15)20-18(13)21(2)12-14-7-9-16(19)10-8-14/h3-11H,12,19H2,1-2H3
InChIKeyKMUVPTPARRBFLB-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-N-methylquinolin-2-amine
CID 60875520
N',2-dimethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
CID 63228923
[2-[benzyl(methyl)amino]quinolin-3-yl]methanol
CID 28963473
3-[methyl-(3-methylquinolin-2-yl)amino]propanenitrile
CID 63229008
N'-(2-aminoethyl)-N'-(3-methylquinolin-2-yl)ethane-1,2-diamine
CID 63229201
2-N,2-N-dibenzylquinoline-2,3-diamine
CID 139693174
2-N-methyl-2-N-(3-methylquinolin-2-yl)propane-1,2-diamine
CID 104556733
N-[(4-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine
CID 60875525
2-methyl-3-[methyl-(3-methylquinolin-2-yl)amino]propanoic acid
CID 55174576
N-[(4-aminophenyl)methyl]-N-methylnaphthalen-1-amine
CID 115212453
N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinolin-2-amine
CID 133413137
4-[[methyl-(3-methylquinolin-2-yl)amino]methyl]oxan-4-ol
CID 114952231

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N,3-dimethylquinolin-2-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-N,3-dimethylquinolin-2-amine (CID 63229274) is N-[(4-aminophenyl)methyl]-N,3-dimethylquinolin-2-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N,3-dimethylquinolin-2-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N,3-dimethylquinolin-2-amine is Cc1cc2ccccc2nc1N(C)Cc1ccc(N)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N,3-dimethylquinolin-2-amine?
The InChIKey is KMUVPTPARRBFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-11-15-5-3-4-6-17(15)20-18(13)21(2)12-14-7-9-16(19)10-8-14/h3-11H,12,19H2,1-2H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N,3-dimethylquinolin-2-amine?
N-[(4-aminophenyl)methyl]-N,3-dimethylquinolin-2-amine 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 N-[(4-aminophenyl)methyl]-N,3-dimethylquinolin-2-amine is sourced from PubChem (CID 63229274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).