2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]hexanoic acid

C14H20ClNO3 — CID 82312954

IUPAC2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]hexanoic acid
SMILESCCCCC(NCC(O)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C14H20ClNO3/c1-2-3-4-12(14(18)19)16-9-13(17)10-5-7-11(15)8-6-10/h5-8,12-13,16-17H,2-4,9H2,1H3,(H,18,19)
InChIKeyABDAUAKFOSKKDA-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.61
Rot. Bonds8

About 2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]hexanoic acid

2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]hexanoic acid (PubChem CID 82312954) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]hexanoic acid.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]hexanoic acid
PubChem CID82312954
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]hexanoic acid
SMILESCCCCC(NCC(O)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C14H20ClNO3/c1-2-3-4-12(14(18)19)16-9-13(17)10-5-7-11(15)8-6-10/h5-8,12-13,16-17H,2-4,9H2,1H3,(H,18,19)
InChIKeyABDAUAKFOSKKDA-UHFFFAOYSA-N
XLogP2.61
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-chlorophenyl)ethylamino]hexanoic acid
CID 103244944
2-[[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]amino]pentanoic acid
CID 82315438
(2S)-2-[[4-(4-chlorophenyl)phenyl]methylamino]hexanoic acid
CID 122044665
N-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide
CID 86076853
2-[2-(4-methoxyphenyl)propylamino]hexanoic acid
CID 122039668
(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219
(2S)-2-[(2-bromo-4-chlorophenyl)methylamino]hexanoic acid
CID 120511592
2-[(4-chlorophenyl)methylamino]pentanoic acid
CID 43631664
(2S)-2-[(4-methyl-2-phenylpentyl)amino]hexanoic acid
CID 122044675
1-(4-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 54949960

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]hexanoic acid?
The IUPAC name of 2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]hexanoic acid (CID 82312954) is 2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]hexanoic acid.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]hexanoic acid?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]hexanoic acid is CCCCC(NCC(O)c1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]hexanoic acid?
The InChIKey is ABDAUAKFOSKKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-2-3-4-12(14(18)19)16-9-13(17)10-5-7-11(15)8-6-10/h5-8,12-13,16-17H,2-4,9H2,1H3,(H,18,19).
What are the key properties of 2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]hexanoic acid?
2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]hexanoic acid has a molecular weight of 285.77 g/mol, XLogP of 2.61, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]hexanoic acid is sourced from PubChem (CID 82312954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).