4-(dimethylamino)-4-(3,4-dimethylphenyl)-2,2-dimethylbutanoic acid

C16H25NO2 — CID 116908309

IUPAC4-(dimethylamino)-4-(3,4-dimethylphenyl)-2,2-dimethylbutanoic acid
SMILESCc1ccc(C(CC(C)(C)C(=O)O)N(C)C)cc1C
InChIInChI=1S/C16H25NO2/c1-11-7-8-13(9-12(11)2)14(17(5)6)10-16(3,4)15(18)19/h7-9,14H,10H2,1-6H3,(H,18,19)
InChIKeyFAWWBLYDDHFAJG-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.41
Rot. Bonds5

About 4-(dimethylamino)-4-(3,4-dimethylphenyl)-2,2-dimethylbutanoic acid

4-(dimethylamino)-4-(3,4-dimethylphenyl)-2,2-dimethylbutanoic acid (PubChem CID 116908309) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-(dimethylamino)-4-(3,4-dimethylphenyl)-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-(dimethylamino)-4-(3,4-dimethylphenyl)-2,2-dimethylbutanoic acid
PubChem CID116908309
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-(dimethylamino)-4-(3,4-dimethylphenyl)-2,2-dimethylbutanoic acid
SMILESCc1ccc(C(CC(C)(C)C(=O)O)N(C)C)cc1C
InChIInChI=1S/C16H25NO2/c1-11-7-8-13(9-12(11)2)14(17(5)6)10-16(3,4)15(18)19/h7-9,14H,10H2,1-6H3,(H,18,19)
InChIKeyFAWWBLYDDHFAJG-UHFFFAOYSA-N
XLogP3.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine
CID 116905016
4-(4-bromophenyl)-4-(dimethylamino)-2,2-dimethylbutanoic acid
CID 116908313
4-(dimethylamino)-4-(3-fluorophenyl)-2,2-dimethylbutanoic acid
CID 116908326
(1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 93279766
3-(3,4-dimethylphenyl)-2-hydroxy-2-methylbutanoic acid
CID 79304600
1-(3,4-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904772
4-amino-4-(3,4-dimethylphenyl)-2,2-dimethylbutanamide
CID 65297514
2-[1-(3,4-dimethylphenyl)ethyl-ethylamino]-2-methylpropanoic acid
CID 65062015
1-(4-methoxy-3-methylphenyl)-N,N,3,3-tetramethylbutane-1,4-diamine
CID 116905729
4-[4-(5-carboxy-5-methylhexan-3-yl)phenyl]-2,2-dimethylhexanoic acid
CID 90345851
3-[2-(3,4-dimethylphenyl)ethyl-methylamino]-2,2-dimethylpropanoic acid
CID 115136669
(E)-4-(dimethylamino)-4-(3,4-dimethylphenyl)but-2-enoic acid
CID 116910709

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-(3,4-dimethylphenyl)-2,2-dimethylbutanoic acid?
The IUPAC name of 4-(dimethylamino)-4-(3,4-dimethylphenyl)-2,2-dimethylbutanoic acid (CID 116908309) is 4-(dimethylamino)-4-(3,4-dimethylphenyl)-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-(dimethylamino)-4-(3,4-dimethylphenyl)-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-(dimethylamino)-4-(3,4-dimethylphenyl)-2,2-dimethylbutanoic acid is Cc1ccc(C(CC(C)(C)C(=O)O)N(C)C)cc1C.
What is the InChIKey of 4-(dimethylamino)-4-(3,4-dimethylphenyl)-2,2-dimethylbutanoic acid?
The InChIKey is FAWWBLYDDHFAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-7-8-13(9-12(11)2)14(17(5)6)10-16(3,4)15(18)19/h7-9,14H,10H2,1-6H3,(H,18,19).
What are the key properties of 4-(dimethylamino)-4-(3,4-dimethylphenyl)-2,2-dimethylbutanoic acid?
4-(dimethylamino)-4-(3,4-dimethylphenyl)-2,2-dimethylbutanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-(3,4-dimethylphenyl)-2,2-dimethylbutanoic acid is sourced from PubChem (CID 116908309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).