4-[2-(4-ethylphenyl)ethylamino]-2,2-dimethylbutanoic acid

C16H25NO2 — CID 115221175

IUPAC4-[2-(4-ethylphenyl)ethylamino]-2,2-dimethylbutanoic acid
SMILESCCc1ccc(CCNCCC(C)(C)C(=O)O)cc1
InChIInChI=1S/C16H25NO2/c1-4-13-5-7-14(8-6-13)9-11-17-12-10-16(2,3)15(18)19/h5-8,17H,4,9-12H2,1-3H3,(H,18,19)
InChIKeyLVPMNRRTBWRVRB-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.88
Rot. Bonds8

About 4-[2-(4-ethylphenyl)ethylamino]-2,2-dimethylbutanoic acid

4-[2-(4-ethylphenyl)ethylamino]-2,2-dimethylbutanoic acid (PubChem CID 115221175) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[2-(4-ethylphenyl)ethylamino]-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-[2-(4-ethylphenyl)ethylamino]-2,2-dimethylbutanoic acid
PubChem CID115221175
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[2-(4-ethylphenyl)ethylamino]-2,2-dimethylbutanoic acid
SMILESCCc1ccc(CCNCCC(C)(C)C(=O)O)cc1
InChIInChI=1S/C16H25NO2/c1-4-13-5-7-14(8-6-13)9-11-17-12-10-16(2,3)15(18)19/h5-8,17H,4,9-12H2,1-3H3,(H,18,19)
InChIKeyLVPMNRRTBWRVRB-UHFFFAOYSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
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-tert-butylphenyl)ethylamino]-2,2-dimethylbutanoic acid
CID 122127415
2,2-dimethyl-4-[2-(4-propan-2-ylphenyl)ethylamino]butanoic acid
CID 122127310
3-[4-[2-(heptylamino)ethyl]phenyl]-2,2-dimethylpropanoic acid
CID 23431223
2,2-dimethyl-3-[2-(4-propylphenyl)ethylamino]propanoic acid
CID 115136637
5-(4-ethylphenoxy)-2,2-dimethylpentanoic acid
CID 22891666
5-[4-(4,4-dimethyl-5-oxohexyl)phenyl]-2,2-dimethylpentanoic acid
CID 164595150
2-[2-(4-ethylphenyl)ethylamino]ethanol
CID 94679941
N-[2-(4-ethylphenyl)ethyl]propan-1-amine
CID 62550246
4-(4-ethyl-N-methylanilino)-2,2-dimethylbutanoic acid
CID 65248225
4-(4-ethylphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727213
7-[4-(6,6-dimethyl-7-oxooctyl)phenyl]-2,2-dimethylheptanoic acid
CID 164594943
2,2-dimethyl-4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]butanoic acid
CID 122126838

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethylphenyl)ethylamino]-2,2-dimethylbutanoic acid?
The IUPAC name of 4-[2-(4-ethylphenyl)ethylamino]-2,2-dimethylbutanoic acid (CID 115221175) is 4-[2-(4-ethylphenyl)ethylamino]-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-[2-(4-ethylphenyl)ethylamino]-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-[2-(4-ethylphenyl)ethylamino]-2,2-dimethylbutanoic acid is CCc1ccc(CCNCCC(C)(C)C(=O)O)cc1.
What is the InChIKey of 4-[2-(4-ethylphenyl)ethylamino]-2,2-dimethylbutanoic acid?
The InChIKey is LVPMNRRTBWRVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-13-5-7-14(8-6-13)9-11-17-12-10-16(2,3)15(18)19/h5-8,17H,4,9-12H2,1-3H3,(H,18,19).
What are the key properties of 4-[2-(4-ethylphenyl)ethylamino]-2,2-dimethylbutanoic acid?
4-[2-(4-ethylphenyl)ethylamino]-2,2-dimethylbutanoic acid has a molecular weight of 263.38 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethylphenyl)ethylamino]-2,2-dimethylbutanoic acid is sourced from PubChem (CID 115221175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).