3-(4-chlorophenyl)-4-(ethylamino)butanoic acid

C12H16ClNO2 — CID 142142962

IUPAC3-(4-chlorophenyl)-4-(ethylamino)butanoic acid
SMILESCCNCC(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-2-14-8-10(7-12(15)16)9-3-5-11(13)6-4-9/h3-6,10,14H,2,7-8H2,1H3,(H,15,16)
InChIKeySESZYMABRQPUMI-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.51
Rot. Bonds6

About 3-(4-chlorophenyl)-4-(ethylamino)butanoic acid

3-(4-chlorophenyl)-4-(ethylamino)butanoic acid (PubChem CID 142142962) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(ethylamino)butanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(ethylamino)butanoic acid
PubChem CID142142962
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name3-(4-chlorophenyl)-4-(ethylamino)butanoic acid
SMILESCCNCC(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-2-14-8-10(7-12(15)16)9-3-5-11(13)6-4-9/h3-6,10,14H,2,7-8H2,1H3,(H,15,16)
InChIKeySESZYMABRQPUMI-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-4-(ethylamino)butanal
CID 89108234
(3S)-3-(4-chlorophenyl)-5-methoxy-5-oxopentanoic acid
CID 44516385
3-(4-chlorophenyl)-5-(methylamino)-5-oxopentanoic acid
CID 82132170
2-(4-chlorophenyl)-N,4-diethylhexan-1-amine
CID 82930759
3-(4-chlorophenyl)-5,5-dimethylhexanoic acid
CID 82298975
sodium;3-(4-chlorophenyl)-4-hydroxybutanoic acid;hydride
CID 132988119
4-tert-butylsulfonyl-2-(4-chlorophenyl)-N-ethylbutan-1-amine
CID 106730140
(3R)-3-(4-chlorophenyl)-4-[1-(2-methylpropanoyloxy)propoxycarbonylamino]butanoic acid
CID 90989841
(3R)-3-(4-chlorophenyl)-4-[[(1S)-1-(2-methylpropanoyloxy)ethoxy]carbonylamino]butanoic acid
CID 66662741
(3R)-3-(4-chlorophenyl)-4-[[(1R)-1-(2-methylpropanoyloxy)ethoxy]carbonylamino]butanoic acid
CID 66662602
(3R)-3-(4-chlorophenyl)-4-[1-(2,2-dimethylpropanoyloxy)propoxycarbonylamino]butanoic acid
CID 91531091
3-(4-chlorophenyl)-4-cyanobutanoic acid
CID 83708650

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(ethylamino)butanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-4-(ethylamino)butanoic acid (CID 142142962) is 3-(4-chlorophenyl)-4-(ethylamino)butanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(ethylamino)butanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-4-(ethylamino)butanoic acid is CCNCC(CC(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(ethylamino)butanoic acid?
The InChIKey is SESZYMABRQPUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-2-14-8-10(7-12(15)16)9-3-5-11(13)6-4-9/h3-6,10,14H,2,7-8H2,1H3,(H,15,16).
What are the key properties of 3-(4-chlorophenyl)-4-(ethylamino)butanoic acid?
3-(4-chlorophenyl)-4-(ethylamino)butanoic acid has a molecular weight of 241.72 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(ethylamino)butanoic acid is sourced from PubChem (CID 142142962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).