2-(methylamino)ethyl N-(3-fluorophenyl)carbamate

C10H13FN2O2 — CID 79338015

IUPAC2-(methylamino)ethyl N-(3-fluorophenyl)carbamate
SMILESCNCCOC(=O)Nc1cccc(F)c1
InChIInChI=1S/C10H13FN2O2/c1-12-5-6-15-10(14)13-9-4-2-3-8(11)7-9/h2-4,7,12H,5-6H2,1H3,(H,13,14)
InChIKeyFRVRAFIRNSPTOV-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.59
Rot. Bonds4

About 2-(methylamino)ethyl N-(3-fluorophenyl)carbamate

2-(methylamino)ethyl N-(3-fluorophenyl)carbamate (PubChem CID 79338015) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-(methylamino)ethyl N-(3-fluorophenyl)carbamate.

Molecular Properties

Compound Name2-(methylamino)ethyl N-(3-fluorophenyl)carbamate
PubChem CID79338015
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name2-(methylamino)ethyl N-(3-fluorophenyl)carbamate
SMILESCNCCOC(=O)Nc1cccc(F)c1
InChIInChI=1S/C10H13FN2O2/c1-12-5-6-15-10(14)13-9-4-2-3-8(11)7-9/h2-4,7,12H,5-6H2,1H3,(H,13,14)
InChIKeyFRVRAFIRNSPTOV-UHFFFAOYSA-N
XLogP1.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)ethyl N-(3-methylphenyl)carbamate
CID 79338222
2-trimethylsilylethyl N-(3-fluorophenyl)carbamate
CID 68758194
3-chloropropyl N-(3-fluorophenyl)carbamate
CID 103970573
2-methylpropyl N-(3-fluorophenyl)carbamate
CID 15908281
2-azidoethyl N-(3-fluorophenyl)carbamate
CID 59667440
2-methoxyethyl N-[3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]carbamate
CID 47077792
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
pyridin-3-ylmethyl N-(3-fluorophenyl)carbamate
CID 4524913
N'-(3-fluorophenyl)-N-(2-methoxyethyl)propanediamide
CID 108943203
(4-nitrophenyl)methyl N-(3-fluorophenyl)carbamate
CID 134125017

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)ethyl N-(3-fluorophenyl)carbamate?
The IUPAC name of 2-(methylamino)ethyl N-(3-fluorophenyl)carbamate (CID 79338015) is 2-(methylamino)ethyl N-(3-fluorophenyl)carbamate.
What is the SMILES notation for 2-(methylamino)ethyl N-(3-fluorophenyl)carbamate?
The canonical SMILES for 2-(methylamino)ethyl N-(3-fluorophenyl)carbamate is CNCCOC(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-(methylamino)ethyl N-(3-fluorophenyl)carbamate?
The InChIKey is FRVRAFIRNSPTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-12-5-6-15-10(14)13-9-4-2-3-8(11)7-9/h2-4,7,12H,5-6H2,1H3,(H,13,14).
What are the key properties of 2-(methylamino)ethyl N-(3-fluorophenyl)carbamate?
2-(methylamino)ethyl N-(3-fluorophenyl)carbamate has a molecular weight of 212.22 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)ethyl N-(3-fluorophenyl)carbamate is sourced from PubChem (CID 79338015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).