N-[[4-(ethoxymethyl)phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine

C19H18F3N3O — CID 55591017

IUPACN-[[4-(ethoxymethyl)phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine
SMILESCCOCc1ccc(CNc2nc(C(F)(F)F)nc3ccccc23)cc1
InChIInChI=1S/C19H18F3N3O/c1-2-26-12-14-9-7-13(8-10-14)11-23-17-15-5-3-4-6-16(15)24-18(25-17)19(20,21)22/h3-10H,2,11-12H2,1H3,(H,23,24,25)
InChIKeyPCCWILRQQCERSC-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.80
Rot. Bonds6

About N-[[4-(ethoxymethyl)phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine

N-[[4-(ethoxymethyl)phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 55591017) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is N-[[4-(ethoxymethyl)phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[[4-(ethoxymethyl)phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID55591017
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC NameN-[[4-(ethoxymethyl)phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine
SMILESCCOCc1ccc(CNc2nc(C(F)(F)F)nc3ccccc23)cc1
InChIInChI=1S/C19H18F3N3O/c1-2-26-12-14-9-7-13(8-10-14)11-23-17-15-5-3-4-6-16(15)24-18(25-17)19(20,21)22/h3-10H,2,11-12H2,1H3,(H,23,24,25)
InChIKeyPCCWILRQQCERSC-UHFFFAOYSA-N
XLogP4.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine (CID 55591017) is N-[[4-(ethoxymethyl)phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-[[4-(ethoxymethyl)phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-[[4-(ethoxymethyl)phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine is CCOCc1ccc(CNc2nc(C(F)(F)F)nc3ccccc23)cc1.
What is the InChIKey of N-[[4-(ethoxymethyl)phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is PCCWILRQQCERSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-2-26-12-14-9-7-13(8-10-14)11-23-17-15-5-3-4-6-16(15)24-18(25-17)19(20,21)22/h3-10H,2,11-12H2,1H3,(H,23,24,25).
What are the key properties of N-[[4-(ethoxymethyl)phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine?
N-[[4-(ethoxymethyl)phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 361.37 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethoxymethyl)phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 55591017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).