3-[4-(1-aminoethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride

C11H15ClN2O2 — CID 119032033

IUPAC3-[4-(1-aminoethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCC(N)c1ccc(N2CCOC2=O)cc1.Cl
InChIInChI=1S/C11H14N2O2.ClH/c1-8(12)9-2-4-10(5-3-9)13-6-7-15-11(13)14;/h2-5,8H,6-7,12H2,1H3;1H
InChIKeyGRVWAQHPQMPJEN-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.08
Rot. Bonds2

About 3-[4-(1-aminoethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride

3-[4-(1-aminoethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 119032033) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-[4-(1-aminoethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[4-(1-aminoethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride
PubChem CID119032033
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name3-[4-(1-aminoethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCC(N)c1ccc(N2CCOC2=O)cc1.Cl
InChIInChI=1S/C11H14N2O2.ClH/c1-8(12)9-2-4-10(5-3-9)13-6-7-15-11(13)14;/h2-5,8H,6-7,12H2,1H3;1H
InChIKeyGRVWAQHPQMPJEN-UHFFFAOYSA-N
XLogP2.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-[(4-methylphenyl)amino]-1-piperidinecarboxylate
CID 867182
2-Oxazolidinone, 5-hydroxymethyl-3-(p-tolyl)-
CID 207137
4-(2-Oxo-1,3-oxazolidin-3-yl)benzonitrile
CID 901132
5-(Aminomethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 15158297
(S)-4-(4-Aminobenzyl)oxazolidin-2-one
CID 7099156
2-[(Isobutoxycarbonyl)amino]butyl 3-methylphenylcarbamate
CID 3245348
3-(2-{3-[(3,4-Dimethylphenyl)amino]-1-piperidinyl}-2-oxoethyl)-1,3-oxazolidin-2-one
CID 24790793
N-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-morpholin-4-ylacetamide;dihydrochloride
CID 155562868
Ethyl 4-[(3-methylphenyl)amino]-1-piperidinecarboxylate
CID 867285
2-[(Isopropoxycarbonyl)amino]ethyl 4-methylphenylcarbamate
CID 2829175
(s)-n-[3-(8,9-Dihydro-7h-benzocyclohepten-2-yl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide
CID 9972011
(S)-N-[2-Oxo-3-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-oxazolidin-5-ylmethyl]-acetamide
CID 10086276

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-aminoethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of 3-[4-(1-aminoethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride (CID 119032033) is 3-[4-(1-aminoethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for 3-[4-(1-aminoethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for 3-[4-(1-aminoethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride is CC(N)c1ccc(N2CCOC2=O)cc1.Cl.
What is the InChIKey of 3-[4-(1-aminoethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is GRVWAQHPQMPJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2.ClH/c1-8(12)9-2-4-10(5-3-9)13-6-7-15-11(13)14;/h2-5,8H,6-7,12H2,1H3;1H.
What are the key properties of 3-[4-(1-aminoethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride?
3-[4-(1-aminoethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 242.71 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-aminoethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 119032033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).