2-(propan-2-ylamino)ethyl N-(4-fluorophenyl)carbamate

C12H17FN2O2 — CID 79338343

IUPAC2-(propan-2-ylamino)ethyl N-(4-fluorophenyl)carbamate
SMILESCC(C)NCCOC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O2/c1-9(2)14-7-8-17-12(16)15-11-5-3-10(13)4-6-11/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyCUXCHJMLJXEEDV-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.37
Rot. Bonds5

About 2-(propan-2-ylamino)ethyl N-(4-fluorophenyl)carbamate

2-(propan-2-ylamino)ethyl N-(4-fluorophenyl)carbamate (PubChem CID 79338343) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-(propan-2-ylamino)ethyl N-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Name2-(propan-2-ylamino)ethyl N-(4-fluorophenyl)carbamate
PubChem CID79338343
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-(propan-2-ylamino)ethyl N-(4-fluorophenyl)carbamate
SMILESCC(C)NCCOC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O2/c1-9(2)14-7-8-17-12(16)15-11-5-3-10(13)4-6-11/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyCUXCHJMLJXEEDV-UHFFFAOYSA-N
XLogP2.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.37
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-(propan-2-ylamino)ethyl N-(3,4-dichlorophenyl)carbamate
CID 79337426
[(2R)-2-methylsulfanylpropyl] N-(4-fluorophenyl)carbamate
CID 137477163
ethyl N-[4-[3-(propan-2-ylamino)propanoylamino]phenyl]carbamate
CID 60853812
2-fluoroethyl N-[4-(2-fluoroethoxycarbonylamino)phenyl]carbamate
CID 121003503
ethyl N-[4-[2-(4-fluorophenyl)ethynyl]phenyl]carbamate
CID 102582273
[5-[(4-hydroxyphenyl)carbamoyloxy]-3-methylpentyl] N-(4-hydroxyphenyl)carbamate
CID 70350686
2-(propan-2-yloxycarbonylamino)ethyl N-(4-chlorophenyl)carbamate
CID 3115307
N-(4-fluorophenyl)-2-(1-methoxypropan-2-ylamino)acetamide
CID 43179600
ethyl N-[4-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]carbamate
CID 9038153
N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide
CID 108940880
3-methylbutyl N-(4-aminophenyl)carbamate;hydrochloride
CID 24836337
ethyl 3-(4-fluoroanilino)-2-methyl-3-oxopropanoate
CID 67507786

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)ethyl N-(4-fluorophenyl)carbamate?
The IUPAC name of 2-(propan-2-ylamino)ethyl N-(4-fluorophenyl)carbamate (CID 79338343) is 2-(propan-2-ylamino)ethyl N-(4-fluorophenyl)carbamate.
What is the SMILES notation for 2-(propan-2-ylamino)ethyl N-(4-fluorophenyl)carbamate?
The canonical SMILES for 2-(propan-2-ylamino)ethyl N-(4-fluorophenyl)carbamate is CC(C)NCCOC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(propan-2-ylamino)ethyl N-(4-fluorophenyl)carbamate?
The InChIKey is CUXCHJMLJXEEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-9(2)14-7-8-17-12(16)15-11-5-3-10(13)4-6-11/h3-6,9,14H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-(propan-2-ylamino)ethyl N-(4-fluorophenyl)carbamate?
2-(propan-2-ylamino)ethyl N-(4-fluorophenyl)carbamate has a molecular weight of 240.28 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)ethyl N-(4-fluorophenyl)carbamate is sourced from PubChem (CID 79338343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).