tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate

C14H19F2NO2 — CID 63788322

IUPACtert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H19F2NO2/c1-9(10-6-7-11(15)12(16)8-10)17(5)13(18)19-14(2,3)4/h6-9H,1-5H3
InChIKeyDSMNIOYNRCKKBY-UHFFFAOYSA-N
MW271.31 g/mol
LogP3.89
Rot. Bonds2

About tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate

tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate (PubChem CID 63788322) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate
PubChem CID63788322
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Nametert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H19F2NO2/c1-9(10-6-7-11(15)12(16)8-10)17(5)13(18)19-14(2,3)4/h6-9H,1-5H3
InChIKeyDSMNIOYNRCKKBY-UHFFFAOYSA-N
XLogP3.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-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-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate
CID 63788857
2-hydroxyethyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate
CID 79345147
N-[1-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62732806
tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate
CID 63789575
tert-butyl N-[(1S)-1-(4-ethenylphenyl)ethyl]-N-methylcarbamate
CID 143714683
N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 46513201
tert-butyl N-methyl-N-[1-[4-methyl-3-(propylamino)phenyl]ethyl]carbamate
CID 102569860
4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,2-dimethylbutanamide
CID 80542917
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N-methylbenzamide
CID 55509693
N-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide
CID 86918334
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide
CID 60952393
(2S)-2-[3,4-difluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propanoic acid
CID 140655247

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate (CID 63788322) is tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate is CC(c1ccc(F)c(F)c1)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate?
The InChIKey is DSMNIOYNRCKKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-9(10-6-7-11(15)12(16)8-10)17(5)13(18)19-14(2,3)4/h6-9H,1-5H3.
What are the key properties of tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate?
tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate has a molecular weight of 271.31 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate is sourced from PubChem (CID 63788322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).