N-[(1R)-1-(4-bromophenyl)propyl]-2-(trifluoromethyl)quinazolin-4-amine

C18H15BrF3N3 — CID 9205325

IUPACN-[(1R)-1-(4-bromophenyl)propyl]-2-(trifluoromethyl)quinazolin-4-amine
SMILESCC[C@@H](Nc1nc(C(F)(F)F)nc2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C18H15BrF3N3/c1-2-14(11-7-9-12(19)10-8-11)23-16-13-5-3-4-6-15(13)24-17(25-16)18(20,21)22/h3-10,14H,2H2,1H3,(H,23,24,25)/t14-/m1/s1
InChIKeyGBJQWPSSQHUYCL-CQSZACIVSA-N
MW410.24 g/mol
LogP5.97
Rot. Bonds4

About N-[(1R)-1-(4-bromophenyl)propyl]-2-(trifluoromethyl)quinazolin-4-amine

N-[(1R)-1-(4-bromophenyl)propyl]-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 9205325) has the molecular formula C18H15BrF3N3 and a molecular weight of 410.24 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)propyl]-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)propyl]-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID9205325
Molecular FormulaC18H15BrF3N3
Molecular Weight410.24 g/mol
Exact Mass409.04
IUPAC NameN-[(1R)-1-(4-bromophenyl)propyl]-2-(trifluoromethyl)quinazolin-4-amine
SMILESCC[C@@H](Nc1nc(C(F)(F)F)nc2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C18H15BrF3N3/c1-2-14(11-7-9-12(19)10-8-11)23-16-13-5-3-4-6-15(13)24-17(25-16)18(20,21)22/h3-10,14H,2H2,1H3,(H,23,24,25)/t14-/m1/s1
InChIKeyGBJQWPSSQHUYCL-CQSZACIVSA-N
XLogP5.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.24
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003229
N-(2-methylpropyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 155520248
[2-(trifluoromethyl)quinazolin-4-yl]hydrazine
CID 1475464
4-N-[1-(4-bromophenyl)ethyl]quinazoline-2,4-diamine
CID 80784422
(1S)-1-(4-fluorophenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine
CID 52680047
6-bromo-N-propyl-2-(trifluoromethyl)quinazolin-4-amine
CID 64981430
2-N,2-N,2-trimethyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]propane-1,2-diamine
CID 154835239
N-(2-methylphenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 70704050
3-N-(1-phenylpropyl)quinoxaline-2,3-diamine
CID 102984207
N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 32677860
1-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-ol
CID 21003322
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 24508306

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)propyl]-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)propyl]-2-(trifluoromethyl)quinazolin-4-amine (CID 9205325) is N-[(1R)-1-(4-bromophenyl)propyl]-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)propyl]-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)propyl]-2-(trifluoromethyl)quinazolin-4-amine is CC[C@@H](Nc1nc(C(F)(F)F)nc2ccccc12)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)propyl]-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is GBJQWPSSQHUYCL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H15BrF3N3/c1-2-14(11-7-9-12(19)10-8-11)23-16-13-5-3-4-6-15(13)24-17(25-16)18(20,21)22/h3-10,14H,2H2,1H3,(H,23,24,25)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)propyl]-2-(trifluoromethyl)quinazolin-4-amine?
N-[(1R)-1-(4-bromophenyl)propyl]-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 410.24 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)propyl]-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 9205325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).