2-[1-(4-chlorophenyl)ethylamino]hexanoic acid

C14H20ClNO2 — CID 103244944

IUPAC2-[1-(4-chlorophenyl)ethylamino]hexanoic acid
SMILESCCCCC(NC(C)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C14H20ClNO2/c1-3-4-5-13(14(17)18)16-10(2)11-6-8-12(15)9-7-11/h6-10,13,16H,3-5H2,1-2H3,(H,17,18)
InChIKeyKMHXRMFEMSSCIW-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.63
Rot. Bonds7

About 2-[1-(4-chlorophenyl)ethylamino]hexanoic acid

2-[1-(4-chlorophenyl)ethylamino]hexanoic acid (PubChem CID 103244944) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethylamino]hexanoic acid.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethylamino]hexanoic acid
PubChem CID103244944
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-[1-(4-chlorophenyl)ethylamino]hexanoic acid
SMILESCCCCC(NC(C)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C14H20ClNO2/c1-3-4-5-13(14(17)18)16-10(2)11-6-8-12(15)9-7-11/h6-10,13,16H,3-5H2,1-2H3,(H,17,18)
InChIKeyKMHXRMFEMSSCIW-UHFFFAOYSA-N
XLogP3.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]hexanoic acid
CID 82312954
2-[[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]amino]pentanoic acid
CID 82312991
N-[(1S)-1-(4-chlorophenyl)ethyl]heptan-3-amine
CID 81352954
N-[(1S)-1-(4-chlorophenyl)ethyl]heptan-2-amine
CID 81352202
2-(1-carboxypentylamino)hexanoic acid
CID 22643835
2-(1-pyridin-4-ylethylamino)pentanoic acid
CID 65055511
2-[1-(4-cyanophenyl)ethylamino]pentanoic acid
CID 65055571
(2S)-2-[[4-(4-chlorophenyl)phenyl]methylamino]hexanoic acid
CID 122044665
(2S)-2-[1-(4-methylphenyl)ethylcarbamoylamino]hexanoic acid
CID 107145758
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide
CID 81352154
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-pentan-2-ylpropanamide
CID 81353387
(2S)-2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]hexanoic acid
CID 120614077

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethylamino]hexanoic acid?
The IUPAC name of 2-[1-(4-chlorophenyl)ethylamino]hexanoic acid (CID 103244944) is 2-[1-(4-chlorophenyl)ethylamino]hexanoic acid.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethylamino]hexanoic acid?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethylamino]hexanoic acid is CCCCC(NC(C)c1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethylamino]hexanoic acid?
The InChIKey is KMHXRMFEMSSCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-3-4-5-13(14(17)18)16-10(2)11-6-8-12(15)9-7-11/h6-10,13,16H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(4-chlorophenyl)ethylamino]hexanoic acid?
2-[1-(4-chlorophenyl)ethylamino]hexanoic acid has a molecular weight of 269.77 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethylamino]hexanoic acid is sourced from PubChem (CID 103244944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).