2-[butan-2-yl-[2-(2,4-dichlorophenoxy)ethyl]amino]acetic acid

C14H19Cl2NO3 — CID 60833285

IUPAC2-[butan-2-yl-[2-(2,4-dichlorophenoxy)ethyl]amino]acetic acid
SMILESCCC(C)N(CCOc1ccc(Cl)cc1Cl)CC(=O)O
InChIInChI=1S/C14H19Cl2NO3/c1-3-10(2)17(9-14(18)19)6-7-20-13-5-4-11(15)8-12(13)16/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,18,19)
InChIKeyLNIXQHSAPLFSBJ-UHFFFAOYSA-N
MW320.22 g/mol
LogP3.56
Rot. Bonds8

About 2-[butan-2-yl-[2-(2,4-dichlorophenoxy)ethyl]amino]acetic acid

2-[butan-2-yl-[2-(2,4-dichlorophenoxy)ethyl]amino]acetic acid (PubChem CID 60833285) has the molecular formula C14H19Cl2NO3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-(2,4-dichlorophenoxy)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[2-(2,4-dichlorophenoxy)ethyl]amino]acetic acid
PubChem CID60833285
Molecular FormulaC14H19Cl2NO3
Molecular Weight320.22 g/mol
Exact Mass319.07
IUPAC Name2-[butan-2-yl-[2-(2,4-dichlorophenoxy)ethyl]amino]acetic acid
SMILESCCC(C)N(CCOc1ccc(Cl)cc1Cl)CC(=O)O
InChIInChI=1S/C14H19Cl2NO3/c1-3-10(2)17(9-14(18)19)6-7-20-13-5-4-11(15)8-12(13)16/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,18,19)
InChIKeyLNIXQHSAPLFSBJ-UHFFFAOYSA-N
XLogP3.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,4-dichlorophenoxy)ethyl-propan-2-ylamino]ethanol
CID 60691948
N,N-di(butan-2-yl)-4-(2,4-dichlorophenoxy)butanamide
CID 4181980
2-[butan-2-yl-[2-(4-methoxyphenoxy)ethyl]amino]acetic acid
CID 60833895
2-[2-(2-bromo-4-chlorophenoxy)ethyl-(carboxymethyl)amino]acetic acid
CID 63645272
2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetic acid
CID 60838792
ethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate
CID 62012022
2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid
CID 63645389
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075
2-[butan-2-yl(2-propan-2-yloxyethyl)amino]acetic acid
CID 61484904
N,N-di(butan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 4617435

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-(2,4-dichlorophenoxy)ethyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[2-(2,4-dichlorophenoxy)ethyl]amino]acetic acid (CID 60833285) is 2-[butan-2-yl-[2-(2,4-dichlorophenoxy)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[2-(2,4-dichlorophenoxy)ethyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[2-(2,4-dichlorophenoxy)ethyl]amino]acetic acid is CCC(C)N(CCOc1ccc(Cl)cc1Cl)CC(=O)O.
What is the InChIKey of 2-[butan-2-yl-[2-(2,4-dichlorophenoxy)ethyl]amino]acetic acid?
The InChIKey is LNIXQHSAPLFSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO3/c1-3-10(2)17(9-14(18)19)6-7-20-13-5-4-11(15)8-12(13)16/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[butan-2-yl-[2-(2,4-dichlorophenoxy)ethyl]amino]acetic acid?
2-[butan-2-yl-[2-(2,4-dichlorophenoxy)ethyl]amino]acetic acid has a molecular weight of 320.22 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[2-(2,4-dichlorophenoxy)ethyl]amino]acetic acid is sourced from PubChem (CID 60833285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).