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

C18H19N3 — CID 60871553

IUPACN-[(2-aminophenyl)methyl]-N,2-dimethylquinolin-4-amine
SMILESCc1cc(N(C)Cc2ccccc2N)c2ccccc2n1
InChIInChI=1S/C18H19N3/c1-13-11-18(15-8-4-6-10-17(15)20-13)21(2)12-14-7-3-5-9-16(14)19/h3-11H,12,19H2,1-2H3
InChIKeyBFSLYOLFBBBRGF-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.76
Rot. Bonds3

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

N-[(2-aminophenyl)methyl]-N,2-dimethylquinolin-4-amine (PubChem CID 60871553) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N,2-dimethylquinolin-4-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N,2-dimethylquinolin-4-amine
PubChem CID60871553
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-[(2-aminophenyl)methyl]-N,2-dimethylquinolin-4-amine
SMILESCc1cc(N(C)Cc2ccccc2N)c2ccccc2n1
InChIInChI=1S/C18H19N3/c1-13-11-18(15-8-4-6-10-17(15)20-13)21(2)12-14-7-3-5-9-16(14)19/h3-11H,12,19H2,1-2H3
InChIKeyBFSLYOLFBBBRGF-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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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N,2-dimethylquinolin-4-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-N,2-dimethylquinolin-4-amine (CID 60871553) is N-[(2-aminophenyl)methyl]-N,2-dimethylquinolin-4-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N,2-dimethylquinolin-4-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N,2-dimethylquinolin-4-amine is Cc1cc(N(C)Cc2ccccc2N)c2ccccc2n1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N,2-dimethylquinolin-4-amine?
The InChIKey is BFSLYOLFBBBRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-11-18(15-8-4-6-10-17(15)20-13)21(2)12-14-7-3-5-9-16(14)19/h3-11H,12,19H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N,2-dimethylquinolin-4-amine?
N-[(2-aminophenyl)methyl]-N,2-dimethylquinolin-4-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-[(2-aminophenyl)methyl]-N,2-dimethylquinolin-4-amine is sourced from PubChem (CID 60871553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).