2-(benzylamino)-2-(2,4,6-trimethylphenyl)acetic acid

C18H21NO2 — CID 60992145

IUPAC2-(benzylamino)-2-(2,4,6-trimethylphenyl)acetic acid
SMILESCc1cc(C)c(C(NCc2ccccc2)C(=O)O)c(C)c1
InChIInChI=1S/C18H21NO2/c1-12-9-13(2)16(14(3)10-12)17(18(20)21)19-11-15-7-5-4-6-8-15/h4-10,17,19H,11H2,1-3H3,(H,20,21)
InChIKeyBFVHAICNQIGWBC-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.53
Rot. Bonds5

About 2-(benzylamino)-2-(2,4,6-trimethylphenyl)acetic acid

2-(benzylamino)-2-(2,4,6-trimethylphenyl)acetic acid (PubChem CID 60992145) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(benzylamino)-2-(2,4,6-trimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-(benzylamino)-2-(2,4,6-trimethylphenyl)acetic acid
PubChem CID60992145
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(benzylamino)-2-(2,4,6-trimethylphenyl)acetic acid
SMILESCc1cc(C)c(C(NCc2ccccc2)C(=O)O)c(C)c1
InChIInChI=1S/C18H21NO2/c1-12-9-13(2)16(14(3)10-12)17(18(20)21)19-11-15-7-5-4-6-8-15/h4-10,17,19H,11H2,1-3H3,(H,20,21)
InChIKeyBFVHAICNQIGWBC-UHFFFAOYSA-N
XLogP3.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid
CID 10587129
2-anilino-2-(2,4,6-trimethylphenyl)acetic acid
CID 60992437
2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
2-(benzylamino)-2-(3-chloro-4-methylphenyl)acetic acid
CID 106817664
3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82139246
2-(benzylamino)-2-(4-bromo-5-methylthiophen-2-yl)acetic acid
CID 102840631
2-(benzylamino)-2-(2-ethylphenyl)acetic acid
CID 62416657
2-acetamido-2-(2,4,6-trimethylphenyl)acetic acid
CID 63704772
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetamide
CID 10824853
2-(benzylamino)-2-(2-chloro-6-fluorophenyl)acetic acid
CID 60991180
2-(benzylamino)-2-thiophen-2-ylacetic acid
CID 61346757
4-[(benzylamino)-carboxymethyl]benzoic acid
CID 10085320

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-(2,4,6-trimethylphenyl)acetic acid?
The IUPAC name of 2-(benzylamino)-2-(2,4,6-trimethylphenyl)acetic acid (CID 60992145) is 2-(benzylamino)-2-(2,4,6-trimethylphenyl)acetic acid.
What is the SMILES notation for 2-(benzylamino)-2-(2,4,6-trimethylphenyl)acetic acid?
The canonical SMILES for 2-(benzylamino)-2-(2,4,6-trimethylphenyl)acetic acid is Cc1cc(C)c(C(NCc2ccccc2)C(=O)O)c(C)c1.
What is the InChIKey of 2-(benzylamino)-2-(2,4,6-trimethylphenyl)acetic acid?
The InChIKey is BFVHAICNQIGWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12-9-13(2)16(14(3)10-12)17(18(20)21)19-11-15-7-5-4-6-8-15/h4-10,17,19H,11H2,1-3H3,(H,20,21).
What are the key properties of 2-(benzylamino)-2-(2,4,6-trimethylphenyl)acetic acid?
2-(benzylamino)-2-(2,4,6-trimethylphenyl)acetic acid has a molecular weight of 283.37 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-(2,4,6-trimethylphenyl)acetic acid is sourced from PubChem (CID 60992145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).