propyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate

C20H23F3N2O2 — CID 11567077

IUPACpropyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate
SMILESCCCOC(=O)Nc1c(C)cc(CNc2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C20H23F3N2O2/c1-4-9-27-19(26)25-18-13(2)10-15(11-14(18)3)12-24-17-7-5-16(6-8-17)20(21,22)23/h5-8,10-11,24H,4,9,12H2,1-3H3,(H,25,26)
InChIKeySCZBYOLAIVJLAL-UHFFFAOYSA-N
MW380.41 g/mol
LogP5.89
Rot. Bonds6

About propyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate

propyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate (PubChem CID 11567077) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is propyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate.

Molecular Properties

Compound Namepropyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate
PubChem CID11567077
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Namepropyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate
SMILESCCCOC(=O)Nc1c(C)cc(CNc2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C20H23F3N2O2/c1-4-9-27-19(26)25-18-13(2)10-15(11-14(18)3)12-24-17-7-5-16(6-8-17)20(21,22)23/h5-8,10-11,24H,4,9,12H2,1-3H3,(H,25,26)
InChIKeySCZBYOLAIVJLAL-UHFFFAOYSA-N
XLogP5.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.41
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propyl N-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methylamino]-2,6-dimethylphenyl]carbamate
CID 11545749
[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamic acid
CID 68707179
ethyl N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamate
CID 10269475
ethyl N-[4-[(3-fluoroanilino)methyl]-2,6-dimethylphenyl]carbamate
CID 11716670
ethyl 2-chloro-4-[[4-(trifluoromethyl)anilino]methyl]benzoate
CID 154290404
ethyl N-[2-[4-(dimethylamino)phenyl]-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate
CID 10434244
propyl N-(4-fluoro-3-methylphenyl)carbamate
CID 59576509
2-bromoethyl N-[4-(trifluoromethyl)phenyl]carbamate
CID 103970519
ethyl N-[4-[(4-fluoroanilino)methyl]-2-methylphenyl]carbamate
CID 10266902
N-[2-fluoro-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]butanamide
CID 10066693
[4-(propoxycarbonylamino)phenyl]carbamic acid
CID 70130219
1-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 155032671

Frequently Asked Questions

What is the IUPAC name of propyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate?
The IUPAC name of propyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate (CID 11567077) is propyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate.
What is the SMILES notation for propyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate?
The canonical SMILES for propyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate is CCCOC(=O)Nc1c(C)cc(CNc2ccc(C(F)(F)F)cc2)cc1C.
What is the InChIKey of propyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate?
The InChIKey is SCZBYOLAIVJLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c1-4-9-27-19(26)25-18-13(2)10-15(11-14(18)3)12-24-17-7-5-16(6-8-17)20(21,22)23/h5-8,10-11,24H,4,9,12H2,1-3H3,(H,25,26).
What are the key properties of propyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate?
propyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate has a molecular weight of 380.41 g/mol, XLogP of 5.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate is sourced from PubChem (CID 11567077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).