(1S)-1-(4-fluorophenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine

C19H18F4N4 — CID 52680047

IUPAC(1S)-1-(4-fluorophenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine
SMILESCN(C)[C@H](CNc1nc(C(F)(F)F)nc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C19H18F4N4/c1-27(2)16(12-7-9-13(20)10-8-12)11-24-17-14-5-3-4-6-15(14)25-18(26-17)19(21,22)23/h3-10,16H,11H2,1-2H3,(H,24,25,26)/t16-/m1/s1
InChIKeyUXPFWYRMHWNMKG-MRXNPFEDSA-N
MW378.37 g/mol
LogP4.50
Rot. Bonds5

About (1S)-1-(4-fluorophenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine

(1S)-1-(4-fluorophenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine (PubChem CID 52680047) has the molecular formula C19H18F4N4 and a molecular weight of 378.37 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine
PubChem CID52680047
Molecular FormulaC19H18F4N4
Molecular Weight378.37 g/mol
Exact Mass378.15
IUPAC Name(1S)-1-(4-fluorophenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine
SMILESCN(C)[C@H](CNc1nc(C(F)(F)F)nc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C19H18F4N4/c1-27(2)16(12-7-9-13(20)10-8-12)11-24-17-14-5-3-4-6-15(14)25-18(26-17)19(21,22)23/h3-10,16H,11H2,1-2H3,(H,24,25,26)/t16-/m1/s1
InChIKeyUXPFWYRMHWNMKG-MRXNPFEDSA-N
XLogP4.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-(4-fluorophenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine with MolForge

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Related Compounds

N-(2-methylpropyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 155520248
N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 32677860
N-ethyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003229
2-N,2-N,2-trimethyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]propane-1,2-diamine
CID 154835239
N'-(2-chloroquinazolin-4-yl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 121377379
N-(2-methylphenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 70704050
[2-(trifluoromethyl)quinazolin-4-yl]hydrazine
CID 1475464
2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]phenol
CID 21003212
N-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003222
N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 167801287
N-[(1R)-1-(4-bromophenyl)propyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 9205325
N-[3-(2-methylpropoxy)propyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 154835565

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine?
The IUPAC name of (1S)-1-(4-fluorophenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine (CID 52680047) is (1S)-1-(4-fluorophenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine is CN(C)[C@H](CNc1nc(C(F)(F)F)nc2ccccc12)c1ccc(F)cc1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine?
The InChIKey is UXPFWYRMHWNMKG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18F4N4/c1-27(2)16(12-7-9-13(20)10-8-12)11-24-17-14-5-3-4-6-15(14)25-18(26-17)19(21,22)23/h3-10,16H,11H2,1-2H3,(H,24,25,26)/t16-/m1/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine?
(1S)-1-(4-fluorophenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine has a molecular weight of 378.37 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 52680047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).