[1-(3-bromo-5-fluorophenyl)-2-(dimethylamino)ethyl] carbamate

C11H14BrFN2O2 — CID 126518804

IUPAC[1-(3-bromo-5-fluorophenyl)-2-(dimethylamino)ethyl] carbamate
SMILESCN(C)CC(OC(N)=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C11H14BrFN2O2/c1-15(2)6-10(17-11(14)16)7-3-8(12)5-9(13)4-7/h3-5,10H,6H2,1-2H3,(H2,14,16)
InChIKeyVFPIKKIBCCUTTP-UHFFFAOYSA-N
MW305.15 g/mol
LogP2.29
Rot. Bonds4

About [1-(3-bromo-5-fluorophenyl)-2-(dimethylamino)ethyl] carbamate

[1-(3-bromo-5-fluorophenyl)-2-(dimethylamino)ethyl] carbamate (PubChem CID 126518804) has the molecular formula C11H14BrFN2O2 and a molecular weight of 305.15 g/mol. Its IUPAC name is [1-(3-bromo-5-fluorophenyl)-2-(dimethylamino)ethyl] carbamate.

Molecular Properties

Compound Name[1-(3-bromo-5-fluorophenyl)-2-(dimethylamino)ethyl] carbamate
PubChem CID126518804
Molecular FormulaC11H14BrFN2O2
Molecular Weight305.15 g/mol
Exact Mass304.02
IUPAC Name[1-(3-bromo-5-fluorophenyl)-2-(dimethylamino)ethyl] carbamate
SMILESCN(C)CC(OC(N)=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C11H14BrFN2O2/c1-15(2)6-10(17-11(14)16)7-3-8(12)5-9(13)4-7/h3-5,10H,6H2,1-2H3,(H2,14,16)
InChIKeyVFPIKKIBCCUTTP-UHFFFAOYSA-N
XLogP2.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-5-fluorophenyl)-2-methoxyethanamine
CID 131054078
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CID 171900262
methyl 3-[(3-bromo-5-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008265
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-bromo-5-fluoro-N-methylbenzamide
CID 54991594
(2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol
CID 66514747
(2S)-2-(3-bromo-5-fluorophenyl)propan-1-ol
CID 118056013
1-(3-bromo-5-fluorophenyl)-2-methylbutan-1-amine
CID 79446725
1-(3-fluorophenyl)ethyl carbamate
CID 174605012
tert-butyl N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-hydroxyethyl]carbamate
CID 118054562
(1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol
CID 130982390
2-amino-3-(3-bromo-5-fluorophenyl)-3-hydroxypropanoic acid
CID 130641311
(1S)-1-(3-bromo-5-fluorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171223533

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-5-fluorophenyl)-2-(dimethylamino)ethyl] carbamate?
The IUPAC name of [1-(3-bromo-5-fluorophenyl)-2-(dimethylamino)ethyl] carbamate (CID 126518804) is [1-(3-bromo-5-fluorophenyl)-2-(dimethylamino)ethyl] carbamate.
What is the SMILES notation for [1-(3-bromo-5-fluorophenyl)-2-(dimethylamino)ethyl] carbamate?
The canonical SMILES for [1-(3-bromo-5-fluorophenyl)-2-(dimethylamino)ethyl] carbamate is CN(C)CC(OC(N)=O)c1cc(F)cc(Br)c1.
What is the InChIKey of [1-(3-bromo-5-fluorophenyl)-2-(dimethylamino)ethyl] carbamate?
The InChIKey is VFPIKKIBCCUTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2/c1-15(2)6-10(17-11(14)16)7-3-8(12)5-9(13)4-7/h3-5,10H,6H2,1-2H3,(H2,14,16).
What are the key properties of [1-(3-bromo-5-fluorophenyl)-2-(dimethylamino)ethyl] carbamate?
[1-(3-bromo-5-fluorophenyl)-2-(dimethylamino)ethyl] carbamate has a molecular weight of 305.15 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-5-fluorophenyl)-2-(dimethylamino)ethyl] carbamate is sourced from PubChem (CID 126518804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).