2-cyclohexyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine

C22H22F3N3 — CID 69222459

IUPAC2-cyclohexyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
SMILESFC(F)(F)c1cccc(CNc2nc(C3CCCCC3)nc3ccccc23)c1
InChIInChI=1S/C22H22F3N3/c23-22(24,25)17-10-6-7-15(13-17)14-26-21-18-11-4-5-12-19(18)27-20(28-21)16-8-2-1-3-9-16/h4-7,10-13,16H,1-3,8-9,14H2,(H,26,27,28)
InChIKeyKACWPGIKUVURPQ-UHFFFAOYSA-N
MW385.43 g/mol
LogP6.31
Rot. Bonds4

About 2-cyclohexyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine

2-cyclohexyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine (PubChem CID 69222459) has the molecular formula C22H22F3N3 and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-cyclohexyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
PubChem CID69222459
Molecular FormulaC22H22F3N3
Molecular Weight385.43 g/mol
Exact Mass385.18
IUPAC Name2-cyclohexyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
SMILESFC(F)(F)c1cccc(CNc2nc(C3CCCCC3)nc3ccccc23)c1
InChIInChI=1S/C22H22F3N3/c23-22(24,25)17-10-6-7-15(13-17)14-26-21-18-11-4-5-12-19(18)27-20(28-21)16-8-2-1-3-9-16/h4-7,10-13,16H,1-3,8-9,14H2,(H,26,27,28)
InChIKeyKACWPGIKUVURPQ-UHFFFAOYSA-N
XLogP6.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.43
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine
CID 69221519
3-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 42809709
N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]benzenesulfonamide
CID 42470959
1-[(2-cyclohexylquinazolin-4-yl)amino]propan-2-ol
CID 171988229
N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]ethanesulfonamide
CID 26349972
1-N,2-N-bis[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040821
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
3-(5-methylpyrazol-1-yl)-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]propanamide
CID 42483287
4-N-benzyl-6-piperidin-1-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
CID 23984522
[2-[2-[[(2-cyclobutylquinazolin-4-yl)amino]methyl]phenyl]sulfanylphenyl]methanol
CID 56688785
2-chloro-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]pyridine-4-carboxamide
CID 26361398
N-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine
CID 69221219

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
The IUPAC name of 2-cyclohexyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine (CID 69222459) is 2-cyclohexyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-cyclohexyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
The canonical SMILES for 2-cyclohexyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine is FC(F)(F)c1cccc(CNc2nc(C3CCCCC3)nc3ccccc23)c1.
What is the InChIKey of 2-cyclohexyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
The InChIKey is KACWPGIKUVURPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3/c23-22(24,25)17-10-6-7-15(13-17)14-26-21-18-11-4-5-12-19(18)27-20(28-21)16-8-2-1-3-9-16/h4-7,10-13,16H,1-3,8-9,14H2,(H,26,27,28).
What are the key properties of 2-cyclohexyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
2-cyclohexyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine has a molecular weight of 385.43 g/mol, XLogP of 6.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine is sourced from PubChem (CID 69222459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).