2-fluoroethyl N-[1-[2-(dimethylamino)phenyl]ethyl]carbamate

C13H19FN2O2 — CID 154768821

IUPAC2-fluoroethyl N-[1-[2-(dimethylamino)phenyl]ethyl]carbamate
SMILESCC(NC(=O)OCCF)c1ccccc1N(C)C
InChIInChI=1S/C13H19FN2O2/c1-10(15-13(17)18-9-8-14)11-6-4-5-7-12(11)16(2)3/h4-7,10H,8-9H2,1-3H3,(H,15,17)
InChIKeyOWMVAPZSQZXJIA-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.51
Rot. Bonds5

About 2-fluoroethyl N-[1-[2-(dimethylamino)phenyl]ethyl]carbamate

2-fluoroethyl N-[1-[2-(dimethylamino)phenyl]ethyl]carbamate (PubChem CID 154768821) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-fluoroethyl N-[1-[2-(dimethylamino)phenyl]ethyl]carbamate.

Molecular Properties

Compound Name2-fluoroethyl N-[1-[2-(dimethylamino)phenyl]ethyl]carbamate
PubChem CID154768821
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-fluoroethyl N-[1-[2-(dimethylamino)phenyl]ethyl]carbamate
SMILESCC(NC(=O)OCCF)c1ccccc1N(C)C
InChIInChI=1S/C13H19FN2O2/c1-10(15-13(17)18-9-8-14)11-6-4-5-7-12(11)16(2)3/h4-7,10H,8-9H2,1-3H3,(H,15,17)
InChIKeyOWMVAPZSQZXJIA-UHFFFAOYSA-N
XLogP2.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxyethyl N-(1-naphthalen-1-ylethyl)carbamate
CID 79349046
2-[[2-(dimethylamino)phenyl]carbamoyloxy]ethyl N-[2-(dimethylamino)phenyl]carbamate;hydrochloride
CID 54599742
N-[1-[2-(dimethylamino)phenyl]ethyl]-6-fluoropyridine-3-carboxamide
CID 126821345
butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 125470407
methyl N-[1-(2-methylphenyl)ethyl]carbamate
CID 112683657
2,2,2-trifluoroethyl N-[1-(2-chlorophenyl)ethyl]carbamate
CID 65173391
butyl N-(1-phenylethyl)carbamate
CID 571821
2-hydroxyethyl N-[(1R)-1-pyridin-2-ylethyl]carbamate
CID 81406872
2-hydroxyethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate
CID 79346636
benzyl N-[(1S)-1-(2-bromophenyl)ethyl]carbamate
CID 130164899
3-amino-1-[2-(dimethylamino)phenyl]propane-1,2-diol
CID 170828083
2-hydroxyethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 79345496

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-[1-[2-(dimethylamino)phenyl]ethyl]carbamate?
The IUPAC name of 2-fluoroethyl N-[1-[2-(dimethylamino)phenyl]ethyl]carbamate (CID 154768821) is 2-fluoroethyl N-[1-[2-(dimethylamino)phenyl]ethyl]carbamate.
What is the SMILES notation for 2-fluoroethyl N-[1-[2-(dimethylamino)phenyl]ethyl]carbamate?
The canonical SMILES for 2-fluoroethyl N-[1-[2-(dimethylamino)phenyl]ethyl]carbamate is CC(NC(=O)OCCF)c1ccccc1N(C)C.
What is the InChIKey of 2-fluoroethyl N-[1-[2-(dimethylamino)phenyl]ethyl]carbamate?
The InChIKey is OWMVAPZSQZXJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-10(15-13(17)18-9-8-14)11-6-4-5-7-12(11)16(2)3/h4-7,10H,8-9H2,1-3H3,(H,15,17).
What are the key properties of 2-fluoroethyl N-[1-[2-(dimethylamino)phenyl]ethyl]carbamate?
2-fluoroethyl N-[1-[2-(dimethylamino)phenyl]ethyl]carbamate has a molecular weight of 254.30 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-[1-[2-(dimethylamino)phenyl]ethyl]carbamate is sourced from PubChem (CID 154768821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).