N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]quinazolin-4-amine

C17H14F3N3O — CID 91641402

IUPACN-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]quinazolin-4-amine
SMILESFC(F)(F)COc1ccc(CNc2ncnc3ccccc23)cc1
InChIInChI=1S/C17H14F3N3O/c18-17(19,20)10-24-13-7-5-12(6-8-13)9-21-16-14-3-1-2-4-15(14)22-11-23-16/h1-8,11H,9-10H2,(H,21,22,23)
InChIKeyWLJWRUMFTQSTHR-UHFFFAOYSA-N
MW333.31 g/mol
LogP4.18
Rot. Bonds5

About N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]quinazolin-4-amine

N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]quinazolin-4-amine (PubChem CID 91641402) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]quinazolin-4-amine
PubChem CID91641402
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC NameN-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]quinazolin-4-amine
SMILESFC(F)(F)COc1ccc(CNc2ncnc3ccccc23)cc1
InChIInChI=1S/C17H14F3N3O/c18-17(19,20)10-24-13-7-5-12(6-8-13)9-21-16-14-3-1-2-4-15(14)22-11-23-16/h1-8,11H,9-10H2,(H,21,22,23)
InChIKeyWLJWRUMFTQSTHR-UHFFFAOYSA-N
XLogP4.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinazolin-4-amine
CID 19751395
N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 21002356
N-hydroxy-4-[(quinazolin-4-ylamino)methyl]benzamide
CID 142755257
N-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine
CID 56981677
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine
CID 36832499
N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
CID 12928811
4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-6-carbonitrile
CID 71538885
N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 36835195
6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 70854816
[4-[[4-(2,2,2-trifluoroethoxy)anilino]methyl]phenyl]methanol
CID 110006461
N-(10-phenoxydecyl)quinazolin-4-amine
CID 20545322
4-fluoro-3-[(quinazolin-4-ylamino)methyl]benzonitrile
CID 91643499

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]quinazolin-4-amine?
The IUPAC name of N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]quinazolin-4-amine (CID 91641402) is N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]quinazolin-4-amine.
What is the SMILES notation for N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]quinazolin-4-amine?
The canonical SMILES for N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]quinazolin-4-amine is FC(F)(F)COc1ccc(CNc2ncnc3ccccc23)cc1.
What is the InChIKey of N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]quinazolin-4-amine?
The InChIKey is WLJWRUMFTQSTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c18-17(19,20)10-24-13-7-5-12(6-8-13)9-21-16-14-3-1-2-4-15(14)22-11-23-16/h1-8,11H,9-10H2,(H,21,22,23).
What are the key properties of N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]quinazolin-4-amine?
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]quinazolin-4-amine has a molecular weight of 333.31 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]quinazolin-4-amine is sourced from PubChem (CID 91641402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).