[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamic acid

C17H17F3N2O2 — CID 68707179

IUPAC[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamic acid
SMILESCc1cc(NCc2ccc(C(F)(F)F)cc2)cc(C)c1NC(=O)O
InChIInChI=1S/C17H17F3N2O2/c1-10-7-14(8-11(2)15(10)22-16(23)24)21-9-12-3-5-13(6-4-12)17(18,19)20/h3-8,21-22H,9H2,1-2H3,(H,23,24)
InChIKeyZJFZZTPRXQSXPT-UHFFFAOYSA-N
MW338.33 g/mol
LogP5.02
Rot. Bonds4

About [2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamic acid

[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamic acid (PubChem CID 68707179) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is [2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamic acid.

Molecular Properties

Compound Name[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamic acid
PubChem CID68707179
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamic acid
SMILESCc1cc(NCc2ccc(C(F)(F)F)cc2)cc(C)c1NC(=O)O
InChIInChI=1S/C17H17F3N2O2/c1-10-7-14(8-11(2)15(10)22-16(23)24)21-9-12-3-5-13(6-4-12)17(18,19)20/h3-8,21-22H,9H2,1-2H3,(H,23,24)
InChIKeyZJFZZTPRXQSXPT-UHFFFAOYSA-N
XLogP5.02
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.33
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide
CID 175986266
[4-[(3,5-difluoroanilino)methyl]-2,6-dimethylphenyl]carbamic acid
CID 141140493
propyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate
CID 11567077
4-bromo-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 63449383
propyl N-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methylamino]-2,6-dimethylphenyl]carbamate
CID 11545749
ethyl N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamate
CID 10269475
1-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 155032671
N-[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,3-dimethylbutanamide
CID 44602992
N-[2-fluoro-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]butanamide
CID 10066693
2,2-dimethyl-3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 82821771
N-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide
CID 78895527
2-(trideuteriomethyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide
CID 175749214

Frequently Asked Questions

What is the IUPAC name of [2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamic acid?
The IUPAC name of [2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamic acid (CID 68707179) is [2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamic acid.
What is the SMILES notation for [2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamic acid?
The canonical SMILES for [2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamic acid is Cc1cc(NCc2ccc(C(F)(F)F)cc2)cc(C)c1NC(=O)O.
What is the InChIKey of [2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamic acid?
The InChIKey is ZJFZZTPRXQSXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-10-7-14(8-11(2)15(10)22-16(23)24)21-9-12-3-5-13(6-4-12)17(18,19)20/h3-8,21-22H,9H2,1-2H3,(H,23,24).
What are the key properties of [2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamic acid?
[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamic acid has a molecular weight of 338.33 g/mol, XLogP of 5.02, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamic acid is sourced from PubChem (CID 68707179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).