2-methyl-5-[(2-methylquinolin-4-yl)methylamino]phenol

C18H18N2O — CID 107699881

IUPAC2-methyl-5-[(2-methylquinolin-4-yl)methylamino]phenol
SMILESCc1cc(CNc2ccc(C)c(O)c2)c2ccccc2n1
InChIInChI=1S/C18H18N2O/c1-12-7-8-15(10-18(12)21)19-11-14-9-13(2)20-17-6-4-3-5-16(14)17/h3-10,19,21H,11H2,1-2H3
InChIKeyAXYQRYVBWSVPBS-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.17
Rot. Bonds3

About 2-methyl-5-[(2-methylquinolin-4-yl)methylamino]phenol

2-methyl-5-[(2-methylquinolin-4-yl)methylamino]phenol (PubChem CID 107699881) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-methyl-5-[(2-methylquinolin-4-yl)methylamino]phenol.

Molecular Properties

Compound Name2-methyl-5-[(2-methylquinolin-4-yl)methylamino]phenol
PubChem CID107699881
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-methyl-5-[(2-methylquinolin-4-yl)methylamino]phenol
SMILESCc1cc(CNc2ccc(C)c(O)c2)c2ccccc2n1
InChIInChI=1S/C18H18N2O/c1-12-7-8-15(10-18(12)21)19-11-14-9-13(2)20-17-6-4-3-5-16(14)17/h3-10,19,21H,11H2,1-2H3
InChIKeyAXYQRYVBWSVPBS-UHFFFAOYSA-N
XLogP4.17
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-5-[(2-methylquinolin-4-yl)methylamino]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methylquinolin-4-yl)methylamino]phenol?
The IUPAC name of 2-methyl-5-[(2-methylquinolin-4-yl)methylamino]phenol (CID 107699881) is 2-methyl-5-[(2-methylquinolin-4-yl)methylamino]phenol.
What is the SMILES notation for 2-methyl-5-[(2-methylquinolin-4-yl)methylamino]phenol?
The canonical SMILES for 2-methyl-5-[(2-methylquinolin-4-yl)methylamino]phenol is Cc1cc(CNc2ccc(C)c(O)c2)c2ccccc2n1.
What is the InChIKey of 2-methyl-5-[(2-methylquinolin-4-yl)methylamino]phenol?
The InChIKey is AXYQRYVBWSVPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12-7-8-15(10-18(12)21)19-11-14-9-13(2)20-17-6-4-3-5-16(14)17/h3-10,19,21H,11H2,1-2H3.
What are the key properties of 2-methyl-5-[(2-methylquinolin-4-yl)methylamino]phenol?
2-methyl-5-[(2-methylquinolin-4-yl)methylamino]phenol has a molecular weight of 278.36 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methylquinolin-4-yl)methylamino]phenol is sourced from PubChem (CID 107699881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).