2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]ethyl carbamate

C12H16F2N2O2 — CID 83210980

IUPAC2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]ethyl carbamate
SMILESCc1cc(F)c(C(C)NCCOC(N)=O)cc1F
InChIInChI=1S/C12H16F2N2O2/c1-7-5-11(14)9(6-10(7)13)8(2)16-3-4-18-12(15)17/h5-6,8,16H,3-4H2,1-2H3,(H2,15,17)
InChIKeyOEJGUJMHEOBMRB-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.02
Rot. Bonds5

About 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]ethyl carbamate

2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]ethyl carbamate (PubChem CID 83210980) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]ethyl carbamate
PubChem CID83210980
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]ethyl carbamate
SMILESCc1cc(F)c(C(C)NCCOC(N)=O)cc1F
InChIInChI=1S/C12H16F2N2O2/c1-7-5-11(14)9(6-10(7)13)8(2)16-3-4-18-12(15)17/h5-6,8,16H,3-4H2,1-2H3,(H2,15,17)
InChIKeyOEJGUJMHEOBMRB-UHFFFAOYSA-N
XLogP2.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]ethyl 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

2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-N-methylethanesulfonamide
CID 106333847
methyl (2S)-2-(2,5-difluoro-4-methylphenyl)propanoate
CID 124636879
2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]-3-methylbutanamide
CID 106344464
2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl carbamate
CID 83210108
2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl carbamate
CID 83211772
2-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]ethoxy]acetamide
CID 106235231
2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl carbamate
CID 83209734
2-[(5-amino-2-fluoro-4-methylphenyl)sulfonylamino]ethyl carbamate
CID 83202296
2-[1-(4-methyl-3-nitrophenyl)ethylamino]ethyl carbamate
CID 83209828
2-[[1-(2,5-difluoro-4-methylphenyl)ethylamino]methyl]-2-ethylbutan-1-ol
CID 106251865
1-(2,5-difluoro-4-methylphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895273
2-(propan-2-ylamino)ethyl carbamate
CID 79338127

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]ethyl carbamate?
The IUPAC name of 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]ethyl carbamate (CID 83210980) is 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]ethyl carbamate.
What is the SMILES notation for 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]ethyl carbamate?
The canonical SMILES for 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]ethyl carbamate is Cc1cc(F)c(C(C)NCCOC(N)=O)cc1F.
What is the InChIKey of 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]ethyl carbamate?
The InChIKey is OEJGUJMHEOBMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-7-5-11(14)9(6-10(7)13)8(2)16-3-4-18-12(15)17/h5-6,8,16H,3-4H2,1-2H3,(H2,15,17).
What are the key properties of 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]ethyl carbamate?
2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]ethyl carbamate has a molecular weight of 258.27 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-difluoro-4-methylphenyl)ethylamino]ethyl carbamate is sourced from PubChem (CID 83210980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).