2-[(4-ethylphenyl)methylamino]-2-methylbutanoic acid

C14H21NO2 — CID 79801788

IUPAC2-[(4-ethylphenyl)methylamino]-2-methylbutanoic acid
SMILESCCc1ccc(CNC(C)(CC)C(=O)O)cc1
InChIInChI=1S/C14H21NO2/c1-4-11-6-8-12(9-7-11)10-15-14(3,5-2)13(16)17/h6-9,15H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyWWKRVDRVYRICBC-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.59
Rot. Bonds6

About 2-[(4-ethylphenyl)methylamino]-2-methylbutanoic acid

2-[(4-ethylphenyl)methylamino]-2-methylbutanoic acid (PubChem CID 79801788) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methylamino]-2-methylbutanoic acid
PubChem CID79801788
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[(4-ethylphenyl)methylamino]-2-methylbutanoic acid
SMILESCCc1ccc(CNC(C)(CC)C(=O)O)cc1
InChIInChI=1S/C14H21NO2/c1-4-11-6-8-12(9-7-11)10-15-14(3,5-2)13(16)17/h6-9,15H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyWWKRVDRVYRICBC-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-dichlorophenyl)methylamino]-2-methylbutanoic acid
CID 79791567
2-methyl-2-[(3-methylphenyl)methylamino]butanoic acid
CID 78969372
2-[(4-bromophenyl)methylamino]-2-methylpentanoic acid
CID 43619765
2-[(4-ethylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 79798274
N-[(4-ethylphenyl)methyl]-2-methylbutan-2-amine
CID 17206654
2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79790533
2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid
CID 43619594
2-methyl-2-[(1-methylpyrazol-4-yl)methylamino]butanoic acid
CID 78969503
2-(benzylamino)-2-methylheptanoic acid
CID 80557654
2-[(2-bromophenyl)methylamino]-2-methylbutanoic acid
CID 78971162
2-methyl-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]butanoic acid
CID 79789387
2-[4-[(3-methylpentan-3-ylamino)methyl]phenyl]acetic acid
CID 106330128

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methylamino]-2-methylbutanoic acid?
The IUPAC name of 2-[(4-ethylphenyl)methylamino]-2-methylbutanoic acid (CID 79801788) is 2-[(4-ethylphenyl)methylamino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(4-ethylphenyl)methylamino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(4-ethylphenyl)methylamino]-2-methylbutanoic acid is CCc1ccc(CNC(C)(CC)C(=O)O)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methylamino]-2-methylbutanoic acid?
The InChIKey is WWKRVDRVYRICBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-11-6-8-12(9-7-11)10-15-14(3,5-2)13(16)17/h6-9,15H,4-5,10H2,1-3H3,(H,16,17).
What are the key properties of 2-[(4-ethylphenyl)methylamino]-2-methylbutanoic acid?
2-[(4-ethylphenyl)methylamino]-2-methylbutanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methylamino]-2-methylbutanoic acid is sourced from PubChem (CID 79801788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).