tert-butyl N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]carbamate

C20H23F3N2O2 — CID 67186601

IUPACtert-butyl N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H23F3N2O2/c1-19(2,3)27-18(26)25-17-10-6-15(7-11-17)13-24-12-14-4-8-16(9-5-14)20(21,22)23/h4-11,24H,12-13H2,1-3H3,(H,25,26)
InChIKeyBMUVKCZVKDGBDM-UHFFFAOYSA-N
MW380.41 g/mol
LogP5.34
Rot. Bonds5

About tert-butyl N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]carbamate

tert-butyl N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]carbamate (PubChem CID 67186601) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is tert-butyl N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]carbamate
PubChem CID67186601
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Nametert-butyl N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H23F3N2O2/c1-19(2,3)27-18(26)25-17-10-6-15(7-11-17)13-24-12-14-4-8-16(9-5-14)20(21,22)23/h4-11,24H,12-13H2,1-3H3,(H,25,26)
InChIKeyBMUVKCZVKDGBDM-UHFFFAOYSA-N
XLogP5.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.41
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

C,C'-Diethyl N,N'-(methylenedi-4,1-phenylene)bis(carbamate)
CID 82348
Methyl [2-(4-phenyl-1-piperazinyl)-5-(trifluoromethyl)phenyl]carbamate
CID 1253511
Ethyl (2-amino-3-fluoro-4-((4-(trifluoromethyl)benzyl)amino)phenyl)carbamate
CID 124203920
propan-2-yl N-[2-amino-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamate
CID 146202082
ethyl N-[2-amino-3-fluoro-4-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamate
CID 146202085
2-[4-(trifluoromethyl)phenyl]ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
CID 67240050
tert-butyl N-[(4-aminophenyl)methyl]carbamate
CID 2756041
4,4'-Methylenebis(isopropyl N-phenylcarbamate)
CID 4258206
tert-butyl N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamate
CID 72736381
ethyl N-[2-amino-3,5-difluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamate
CID 168279224
ethyl N-[2-amino-5-deuterio-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamate
CID 168280691
ethyl N-[2-amino-5-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamate
CID 146202087

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]carbamate (CID 67186601) is tert-butyl N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of tert-butyl N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]carbamate?
The InChIKey is BMUVKCZVKDGBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c1-19(2,3)27-18(26)25-17-10-6-15(7-11-17)13-24-12-14-4-8-16(9-5-14)20(21,22)23/h4-11,24H,12-13H2,1-3H3,(H,25,26).
What are the key properties of tert-butyl N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]carbamate?
tert-butyl N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]carbamate has a molecular weight of 380.41 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]carbamate is sourced from PubChem (CID 67186601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).