2-(aminomethyl)-N-(4-ethoxy-2-fluorophenyl)-N-methylquinazolin-4-amine

C18H19FN4O — CID 59242016

IUPAC2-(aminomethyl)-N-(4-ethoxy-2-fluorophenyl)-N-methylquinazolin-4-amine
SMILESCCOc1ccc(N(C)c2nc(CN)nc3ccccc23)c(F)c1
InChIInChI=1S/C18H19FN4O/c1-3-24-12-8-9-16(14(19)10-12)23(2)18-13-6-4-5-7-15(13)21-17(11-20)22-18/h4-10H,3,11,20H2,1-2H3
InChIKeyUORHCKDBPHFZOG-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.39
Rot. Bonds5

About 2-(aminomethyl)-N-(4-ethoxy-2-fluorophenyl)-N-methylquinazolin-4-amine

2-(aminomethyl)-N-(4-ethoxy-2-fluorophenyl)-N-methylquinazolin-4-amine (PubChem CID 59242016) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-ethoxy-2-fluorophenyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-ethoxy-2-fluorophenyl)-N-methylquinazolin-4-amine
PubChem CID59242016
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name2-(aminomethyl)-N-(4-ethoxy-2-fluorophenyl)-N-methylquinazolin-4-amine
SMILESCCOc1ccc(N(C)c2nc(CN)nc3ccccc23)c(F)c1
InChIInChI=1S/C18H19FN4O/c1-3-24-12-8-9-16(14(19)10-12)23(2)18-13-6-4-5-7-15(13)21-17(11-20)22-18/h4-10H,3,11,20H2,1-2H3
InChIKeyUORHCKDBPHFZOG-UHFFFAOYSA-N
XLogP3.39
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(aminomethyl)-N-(4-ethoxy-2-fluorophenyl)-N-methylquinazolin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine
CID 59242131
2-(chloromethyl)-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine
CID 68517238
2-(chloromethyl)-N-(4-ethoxy-2-fluorophenyl)quinazolin-4-amine
CID 68519576
2-(chloromethyl)-N-methyl-N-phenylquinazolin-4-amine
CID 57223906
2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one
CID 168553260
[5-ethoxy-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
CID 82334694
9-(4-ethoxyphenyl)acridine
CID 18966036
[4-(4-chloro-3-fluorophenoxy)quinolin-2-yl]methanamine
CID 82718575
3-(4-ethoxy-2-fluorophenyl)prop-2-en-1-amine
CID 169463810
[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]methyl-triphenylphosphanium chloride
CID 87600940
2-ethoxynaphthalene
CID 118978197
4-[(6-ethoxy-2-pyridinyl)oxy]-2-fluoroaniline
CID 63590604

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-ethoxy-2-fluorophenyl)-N-methylquinazolin-4-amine?
The IUPAC name of 2-(aminomethyl)-N-(4-ethoxy-2-fluorophenyl)-N-methylquinazolin-4-amine (CID 59242016) is 2-(aminomethyl)-N-(4-ethoxy-2-fluorophenyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-N-(4-ethoxy-2-fluorophenyl)-N-methylquinazolin-4-amine?
The canonical SMILES for 2-(aminomethyl)-N-(4-ethoxy-2-fluorophenyl)-N-methylquinazolin-4-amine is CCOc1ccc(N(C)c2nc(CN)nc3ccccc23)c(F)c1.
What is the InChIKey of 2-(aminomethyl)-N-(4-ethoxy-2-fluorophenyl)-N-methylquinazolin-4-amine?
The InChIKey is UORHCKDBPHFZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-3-24-12-8-9-16(14(19)10-12)23(2)18-13-6-4-5-7-15(13)21-17(11-20)22-18/h4-10H,3,11,20H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(4-ethoxy-2-fluorophenyl)-N-methylquinazolin-4-amine?
2-(aminomethyl)-N-(4-ethoxy-2-fluorophenyl)-N-methylquinazolin-4-amine has a molecular weight of 326.38 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-ethoxy-2-fluorophenyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 59242016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).