N,N-dimethyl-2-[3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine

C28H35F3N4O — CID 162599108

IUPACN,N-dimethyl-2-[3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine
SMILESCN(C)c1nc(CCCC2CCC(CNCc3ccccc3OC(F)(F)F)CC2)nc2ccccc12
InChIInChI=1S/C28H35F3N4O/c1-35(2)27-23-10-4-5-11-24(23)33-26(34-27)13-7-8-20-14-16-21(17-15-20)18-32-19-22-9-3-6-12-25(22)36-28(29,30)31/h3-6,9-12,20-21,32H,7-8,13-19H2,1-2H3
InChIKeyAHUFSWDDMHVHGA-UHFFFAOYSA-N
MW500.61 g/mol
LogP6.51
Rot. Bonds10

About N,N-dimethyl-2-[3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine

N,N-dimethyl-2-[3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine (PubChem CID 162599108) has the molecular formula C28H35F3N4O and a molecular weight of 500.61 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine
PubChem CID162599108
Molecular FormulaC28H35F3N4O
Molecular Weight500.61 g/mol
Exact Mass500.28
IUPAC NameN,N-dimethyl-2-[3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine
SMILESCN(C)c1nc(CCCC2CCC(CNCc3ccccc3OC(F)(F)F)CC2)nc2ccccc12
InChIInChI=1S/C28H35F3N4O/c1-35(2)27-23-10-4-5-11-24(23)33-26(34-27)13-7-8-20-14-16-21(17-15-20)18-32-19-22-9-3-6-12-25(22)36-28(29,30)31/h3-6,9-12,20-21,32H,7-8,13-19H2,1-2H3
InChIKeyAHUFSWDDMHVHGA-UHFFFAOYSA-N
XLogP6.51
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.61
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[3-[4-[(quinolin-8-ylmethylamino)methyl]cyclohexyl]propyl]quinazolin-4-amine
CID 142228277
N,N-dimethyl-2-[(E)-3-[4-[4-[2-(trifluoromethoxy)phenyl]butyl]cyclohexyl]prop-2-enyl]quinazolin-4-amine
CID 142229060
N,N-dimethyl-2-[3-[4-[[(2-methyl-5-phenylfuran-3-yl)methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine
CID 142231140
4-N,4-N-dimethyl-2-N-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexyl]quinoline-2,4-diamine
CID 15986533
N,N-dimethyl-2-[4-[4-[(5-phenylpentylamino)methyl]cyclohexyl]butyl]quinazolin-4-amine
CID 142229578
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 68847499
1-acetyl-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]piperidine-4-carboxamide
CID 142229142
ethane;2-[4-(4-ethylcyclohexyl)butyl]-N,N-dimethylquinazolin-4-amine
CID 142229131
2-[[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methylamino]methyl]-4-(trifluoromethoxy)phenol;methane
CID 157173583
2-N-[4-[[3-[4-bromo-2-(trifluoromethoxy)phenyl]propylamino]methyl]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine;dihydrochloride
CID 87598214
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2-(trifluoromethoxy)benzamide
CID 10228060
N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 142230208

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine?
The IUPAC name of N,N-dimethyl-2-[3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine (CID 162599108) is N,N-dimethyl-2-[3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine is CN(C)c1nc(CCCC2CCC(CNCc3ccccc3OC(F)(F)F)CC2)nc2ccccc12.
What is the InChIKey of N,N-dimethyl-2-[3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine?
The InChIKey is AHUFSWDDMHVHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F3N4O/c1-35(2)27-23-10-4-5-11-24(23)33-26(34-27)13-7-8-20-14-16-21(17-15-20)18-32-19-22-9-3-6-12-25(22)36-28(29,30)31/h3-6,9-12,20-21,32H,7-8,13-19H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine?
N,N-dimethyl-2-[3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine has a molecular weight of 500.61 g/mol, XLogP of 6.51, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine is sourced from PubChem (CID 162599108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).