ethyl N-(2-aminoethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]carbamate

C13H19FN2O2 — CID 124908313

IUPACethyl N-(2-aminoethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]carbamate
SMILESCCOC(=O)N(CCN)[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O2/c1-3-18-13(17)16(9-8-15)10(2)11-4-6-12(14)7-5-11/h4-7,10H,3,8-9,15H2,1-2H3/t10-/m1/s1
InChIKeyMWPBXUVCHIQOMN-SNVBAGLBSA-N
MW254.30 g/mol
LogP2.30
Rot. Bonds5

About ethyl N-(2-aminoethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]carbamate

ethyl N-(2-aminoethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]carbamate (PubChem CID 124908313) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is ethyl N-(2-aminoethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-(2-aminoethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]carbamate
PubChem CID124908313
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Nameethyl N-(2-aminoethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]carbamate
SMILESCCOC(=O)N(CCN)[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O2/c1-3-18-13(17)16(9-8-15)10(2)11-4-6-12(14)7-5-11/h4-7,10H,3,8-9,15H2,1-2H3/t10-/m1/s1
InChIKeyMWPBXUVCHIQOMN-SNVBAGLBSA-N
XLogP2.30
TPSA55.56 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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxyethyl N-ethyl-N-[1-(4-fluorophenyl)ethyl]carbamate
CID 79346125
ethyl 4-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-4-oxobutanoate
CID 60795014
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide
CID 54876478
5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 104684492
N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
ethyl 3-(4-fluorophenyl)-5-[1-(4-fluorophenyl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypentanoate
CID 77279110
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 78892655
5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]hexanamide
CID 82852194
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79287578
ethyl N-(4-fluorophenyl)-N-propan-2-ylcarbamate
CID 117061413
methyl N-[1-(4-bromophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-oxopropyl]carbamate
CID 68731226
3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 54875564

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-aminoethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]carbamate?
The IUPAC name of ethyl N-(2-aminoethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]carbamate (CID 124908313) is ethyl N-(2-aminoethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]carbamate.
What is the SMILES notation for ethyl N-(2-aminoethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]carbamate?
The canonical SMILES for ethyl N-(2-aminoethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]carbamate is CCOC(=O)N(CCN)[C@H](C)c1ccc(F)cc1.
What is the InChIKey of ethyl N-(2-aminoethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]carbamate?
The InChIKey is MWPBXUVCHIQOMN-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-3-18-13(17)16(9-8-15)10(2)11-4-6-12(14)7-5-11/h4-7,10H,3,8-9,15H2,1-2H3/t10-/m1/s1.
What are the key properties of ethyl N-(2-aminoethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]carbamate?
ethyl N-(2-aminoethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]carbamate has a molecular weight of 254.30 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-aminoethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]carbamate is sourced from PubChem (CID 124908313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).