ethyl 4-[1-(2-chlorophenyl)ethyl-methylamino]-3-hydroxybutanoate

C15H22ClNO3 — CID 82770188

IUPACethyl 4-[1-(2-chlorophenyl)ethyl-methylamino]-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CN(C)C(C)c1ccccc1Cl
InChIInChI=1S/C15H22ClNO3/c1-4-20-15(19)9-12(18)10-17(3)11(2)13-7-5-6-8-14(13)16/h5-8,11-12,18H,4,9-10H2,1-3H3
InChIKeyRBWYXKXNZCXFHT-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.65
Rot. Bonds7

About ethyl 4-[1-(2-chlorophenyl)ethyl-methylamino]-3-hydroxybutanoate

ethyl 4-[1-(2-chlorophenyl)ethyl-methylamino]-3-hydroxybutanoate (PubChem CID 82770188) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is ethyl 4-[1-(2-chlorophenyl)ethyl-methylamino]-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-[1-(2-chlorophenyl)ethyl-methylamino]-3-hydroxybutanoate
PubChem CID82770188
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Nameethyl 4-[1-(2-chlorophenyl)ethyl-methylamino]-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CN(C)C(C)c1ccccc1Cl
InChIInChI=1S/C15H22ClNO3/c1-4-20-15(19)9-12(18)10-17(3)11(2)13-7-5-6-8-14(13)16/h5-8,11-12,18H,4,9-10H2,1-3H3
InChIKeyRBWYXKXNZCXFHT-UHFFFAOYSA-N
XLogP2.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985590
N'-[1-(2-chlorophenyl)ethyl]-2-ethoxy-N'-methylpropane-1,3-diamine
CID 63070244
ethyl 3-(2-chlorophenyl)-3-(dimethylaminomethylideneamino)propanoate
CID 91731994
1-(tert-butylamino)-3-[1-(2-chlorophenyl)ethyl-methylamino]propan-2-ol
CID 115475273
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
methyl 3-[1-(2-chlorophenyl)ethyl-methylamino]butanoate
CID 62978673
1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine
CID 113416108
ethyl 3-hydroxy-3-(2-hydroxyphenyl)propanoate
CID 11183417
ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetate
CID 94157373
ethyl 3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propanoate
CID 81378408
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-methyl-N-phenylacetamide
CID 60505511
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide
CID 60505315

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(2-chlorophenyl)ethyl-methylamino]-3-hydroxybutanoate?
The IUPAC name of ethyl 4-[1-(2-chlorophenyl)ethyl-methylamino]-3-hydroxybutanoate (CID 82770188) is ethyl 4-[1-(2-chlorophenyl)ethyl-methylamino]-3-hydroxybutanoate.
What is the SMILES notation for ethyl 4-[1-(2-chlorophenyl)ethyl-methylamino]-3-hydroxybutanoate?
The canonical SMILES for ethyl 4-[1-(2-chlorophenyl)ethyl-methylamino]-3-hydroxybutanoate is CCOC(=O)CC(O)CN(C)C(C)c1ccccc1Cl.
What is the InChIKey of ethyl 4-[1-(2-chlorophenyl)ethyl-methylamino]-3-hydroxybutanoate?
The InChIKey is RBWYXKXNZCXFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-4-20-15(19)9-12(18)10-17(3)11(2)13-7-5-6-8-14(13)16/h5-8,11-12,18H,4,9-10H2,1-3H3.
What are the key properties of ethyl 4-[1-(2-chlorophenyl)ethyl-methylamino]-3-hydroxybutanoate?
ethyl 4-[1-(2-chlorophenyl)ethyl-methylamino]-3-hydroxybutanoate has a molecular weight of 299.80 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(2-chlorophenyl)ethyl-methylamino]-3-hydroxybutanoate is sourced from PubChem (CID 82770188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).