2-[methyl-[[2-(2-methylphenyl)phenyl]methyl]amino]propanoic acid

C18H21NO2 — CID 122036926

IUPAC2-[methyl-[[2-(2-methylphenyl)phenyl]methyl]amino]propanoic acid
SMILESCc1ccccc1-c1ccccc1CN(C)C(C)C(=O)O
InChIInChI=1S/C18H21NO2/c1-13-8-4-6-10-16(13)17-11-7-5-9-15(17)12-19(3)14(2)18(20)21/h4-11,14H,12H2,1-3H3,(H,20,21)
InChIKeyRISHZKWULXSBJJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.57
Rot. Bonds5

About 2-[methyl-[[2-(2-methylphenyl)phenyl]methyl]amino]propanoic acid

2-[methyl-[[2-(2-methylphenyl)phenyl]methyl]amino]propanoic acid (PubChem CID 122036926) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[methyl-[[2-(2-methylphenyl)phenyl]methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[[2-(2-methylphenyl)phenyl]methyl]amino]propanoic acid
PubChem CID122036926
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-[methyl-[[2-(2-methylphenyl)phenyl]methyl]amino]propanoic acid
SMILESCc1ccccc1-c1ccccc1CN(C)C(C)C(=O)O
InChIInChI=1S/C18H21NO2/c1-13-8-4-6-10-16(13)17-11-7-5-9-15(17)12-19(3)14(2)18(20)21/h4-11,14H,12H2,1-3H3,(H,20,21)
InChIKeyRISHZKWULXSBJJ-UHFFFAOYSA-N
XLogP3.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 61412127
2-[(2-hydroxyphenyl)methyl-methylamino]propanoic acid
CID 65060241
(2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
CID 94522375
(2S)-2-[(2-ethoxyphenyl)methyl-methylamino]propanoic acid
CID 92930759
(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide
CID 8516653
2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide
CID 63585176
2-[(5-fluoro-2-methylphenyl)methyl-methylamino]propanoic acid
CID 105372419
2-[methyl-[2-(2-methylphenyl)acetyl]amino]propanoic acid
CID 62627248
2-[methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119913207
2-[(2-butoxyphenyl)methyl-methylamino]propanoic acid
CID 122036759
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
N-cyclopropyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 71944218

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[2-(2-methylphenyl)phenyl]methyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[[2-(2-methylphenyl)phenyl]methyl]amino]propanoic acid (CID 122036926) is 2-[methyl-[[2-(2-methylphenyl)phenyl]methyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[[2-(2-methylphenyl)phenyl]methyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[[2-(2-methylphenyl)phenyl]methyl]amino]propanoic acid is Cc1ccccc1-c1ccccc1CN(C)C(C)C(=O)O.
What is the InChIKey of 2-[methyl-[[2-(2-methylphenyl)phenyl]methyl]amino]propanoic acid?
The InChIKey is RISHZKWULXSBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-8-4-6-10-16(13)17-11-7-5-9-15(17)12-19(3)14(2)18(20)21/h4-11,14H,12H2,1-3H3,(H,20,21).
What are the key properties of 2-[methyl-[[2-(2-methylphenyl)phenyl]methyl]amino]propanoic acid?
2-[methyl-[[2-(2-methylphenyl)phenyl]methyl]amino]propanoic acid has a molecular weight of 283.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[2-(2-methylphenyl)phenyl]methyl]amino]propanoic acid is sourced from PubChem (CID 122036926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).