5-[2-(4-chlorophenyl)ethyl-methylamino]pentanoic acid

C14H20ClNO2 — CID 115219153

IUPAC5-[2-(4-chlorophenyl)ethyl-methylamino]pentanoic acid
SMILESCN(CCCCC(=O)O)CCc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c1-16(10-3-2-4-14(17)18)11-9-12-5-7-13(15)8-6-12/h5-8H,2-4,9-11H2,1H3,(H,17,18)
InChIKeyFBZFSVFQRNXNLB-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.07
Rot. Bonds8

About 5-[2-(4-chlorophenyl)ethyl-methylamino]pentanoic acid

5-[2-(4-chlorophenyl)ethyl-methylamino]pentanoic acid (PubChem CID 115219153) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)ethyl-methylamino]pentanoic acid.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)ethyl-methylamino]pentanoic acid
PubChem CID115219153
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name5-[2-(4-chlorophenyl)ethyl-methylamino]pentanoic acid
SMILESCN(CCCCC(=O)O)CCc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c1-16(10-3-2-4-14(17)18)11-9-12-5-7-13(15)8-6-12/h5-8H,2-4,9-11H2,1H3,(H,17,18)
InChIKeyFBZFSVFQRNXNLB-UHFFFAOYSA-N
XLogP3.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-chlorophenyl)ethyl-methylamino]butanoic acid
CID 115218768
3-[3-(4-chlorophenyl)propyl-methylamino]propanoic acid
CID 19776431
5-[2-(4-ethylphenyl)ethyl-methylamino]pentanoic acid
CID 115219149
4-[2-(4-fluoro-3-methylphenyl)ethyl-methylamino]butanoic acid
CID 115218770
methyl 3-[2-(4-chlorophenyl)ethyl-methylamino]propanoate
CID 115232554
3-[4-(4-chlorophenyl)butanoyl-methylamino]propanoic acid
CID 82224338
3-[3-(4-chlorophenoxy)propyl-methylamino]propanoic acid
CID 19816774
5-[benzyl(methyl)amino]pentanoic acid
CID 28972352
1-chloro-4-phenylbenzene;6-(dimethylamino)hexanoic acid
CID 67597280
4-(4-chloro-N-methylanilino)butanoic acid
CID 19918557
N-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115263462
4-[(4-chlorophenyl)methyl-methylamino]butanamide
CID 14627807

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)ethyl-methylamino]pentanoic acid?
The IUPAC name of 5-[2-(4-chlorophenyl)ethyl-methylamino]pentanoic acid (CID 115219153) is 5-[2-(4-chlorophenyl)ethyl-methylamino]pentanoic acid.
What is the SMILES notation for 5-[2-(4-chlorophenyl)ethyl-methylamino]pentanoic acid?
The canonical SMILES for 5-[2-(4-chlorophenyl)ethyl-methylamino]pentanoic acid is CN(CCCCC(=O)O)CCc1ccc(Cl)cc1.
What is the InChIKey of 5-[2-(4-chlorophenyl)ethyl-methylamino]pentanoic acid?
The InChIKey is FBZFSVFQRNXNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-16(10-3-2-4-14(17)18)11-9-12-5-7-13(15)8-6-12/h5-8H,2-4,9-11H2,1H3,(H,17,18).
What are the key properties of 5-[2-(4-chlorophenyl)ethyl-methylamino]pentanoic acid?
5-[2-(4-chlorophenyl)ethyl-methylamino]pentanoic acid has a molecular weight of 269.77 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)ethyl-methylamino]pentanoic acid is sourced from PubChem (CID 115219153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).