tert-butyl N-(4-fluoro-2-methylphenyl)-N-methylcarbamate

C13H18FNO2 — CID 150785471

IUPACtert-butyl N-(4-fluoro-2-methylphenyl)-N-methylcarbamate
SMILESCc1cc(F)ccc1N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H18FNO2/c1-9-8-10(14)6-7-11(9)15(5)12(16)17-13(2,3)4/h6-8H,1-5H3
InChIKeyKCTIUVLZWBHXDT-UHFFFAOYSA-N
MW239.29 g/mol
LogP3.51
Rot. Bonds1

About tert-butyl N-(4-fluoro-2-methylphenyl)-N-methylcarbamate

tert-butyl N-(4-fluoro-2-methylphenyl)-N-methylcarbamate (PubChem CID 150785471) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is tert-butyl N-(4-fluoro-2-methylphenyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(4-fluoro-2-methylphenyl)-N-methylcarbamate
PubChem CID150785471
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Nametert-butyl N-(4-fluoro-2-methylphenyl)-N-methylcarbamate
SMILESCc1cc(F)ccc1N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H18FNO2/c1-9-8-10(14)6-7-11(9)15(5)12(16)17-13(2,3)4/h6-8H,1-5H3
InChIKeyKCTIUVLZWBHXDT-UHFFFAOYSA-N
XLogP3.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-(4-fluoro-2-methylphenyl)-N-methylcarbamate 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

tert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate
CID 70663708
tert-butyl N-(5-fluoro-2-nitrophenyl)-N-methylcarbamate
CID 135346466
tert-butyl N-[5-fluoro-2-[(4-methylphenyl)sulfonylamino]phenyl]-N-methylcarbamate
CID 169373025
tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]-N-methylcarbamate
CID 71742918
tert-butyl N-(2-amino-4-bromophenyl)-N-methylcarbamate
CID 103694246
tert-butyl N-(2-bromo-4-iodophenyl)-N-methylcarbamate
CID 155462077
methyl N-(2,4-difluorophenyl)-N-methylcarbamate
CID 67276002
tert-butyl N-(2,6-difluoro-4-pyridinyl)-N-methylcarbamate
CID 177301285
tert-butyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate
CID 63788857
1-bromo-4-fluoro-2-methylbenzene;tert-butyl carbamate
CID 174499911
tert-butyl N-methyl-N-(2,3,4,5,6-pentafluorophenyl)carbamate
CID 172558948
tert-butyl N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]-N-methylcarbamate
CID 162689282

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-fluoro-2-methylphenyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(4-fluoro-2-methylphenyl)-N-methylcarbamate (CID 150785471) is tert-butyl N-(4-fluoro-2-methylphenyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(4-fluoro-2-methylphenyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(4-fluoro-2-methylphenyl)-N-methylcarbamate is Cc1cc(F)ccc1N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-fluoro-2-methylphenyl)-N-methylcarbamate?
The InChIKey is KCTIUVLZWBHXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9-8-10(14)6-7-11(9)15(5)12(16)17-13(2,3)4/h6-8H,1-5H3.
What are the key properties of tert-butyl N-(4-fluoro-2-methylphenyl)-N-methylcarbamate?
tert-butyl N-(4-fluoro-2-methylphenyl)-N-methylcarbamate has a molecular weight of 239.29 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-fluoro-2-methylphenyl)-N-methylcarbamate is sourced from PubChem (CID 150785471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).