2-(aminomethyl)-2,3-bis(2-methylphenyl)propanoic acid

C18H21NO2 — CID 106509102

IUPAC2-(aminomethyl)-2,3-bis(2-methylphenyl)propanoic acid
SMILESCc1ccccc1CC(CN)(C(=O)O)c1ccccc1C
InChIInChI=1S/C18H21NO2/c1-13-7-3-5-9-15(13)11-18(12-19,17(20)21)16-10-6-4-8-14(16)2/h3-10H,11-12,19H2,1-2H3,(H,20,21)
InChIKeyFOHXJCKNUXIFLX-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.83
Rot. Bonds5

About 2-(aminomethyl)-2,3-bis(2-methylphenyl)propanoic acid

2-(aminomethyl)-2,3-bis(2-methylphenyl)propanoic acid (PubChem CID 106509102) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(aminomethyl)-2,3-bis(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2,3-bis(2-methylphenyl)propanoic acid
PubChem CID106509102
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(aminomethyl)-2,3-bis(2-methylphenyl)propanoic acid
SMILESCc1ccccc1CC(CN)(C(=O)O)c1ccccc1C
InChIInChI=1S/C18H21NO2/c1-13-7-3-5-9-15(13)11-18(12-19,17(20)21)16-10-6-4-8-14(16)2/h3-10H,11-12,19H2,1-2H3,(H,20,21)
InChIKeyFOHXJCKNUXIFLX-UHFFFAOYSA-N
XLogP2.83
TPSA63.32 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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid
CID 106489346
2-(aminomethyl)-2-(4-fluorophenyl)-3-(2-methylphenyl)propanoic acid
CID 106490943
2-(aminomethyl)-2-(2-methylphenyl)hexanoic acid
CID 106509081
2-(aminomethyl)-5,5,5-trifluoro-2-(2-methylphenyl)pentanoic acid
CID 106509167
2-methyl-2-[(2-methylphenyl)methyl]butanoic acid
CID 62740104
1,1,2-tris(2-methylphenyl)ethanol
CID 69269373
(2R)-2-amino-2-[(2-methylphenyl)methyl]but-3-enoic acid;hydrochloride
CID 22821412
2-(2-methylphenyl)acetic acid
CID 67440217
2-ethyl-2-[(2-methylphenyl)methyl]hexanoic acid
CID 63402696
2-methyl-2-[(2-methylphenyl)methyl]pentanoic acid
CID 62738371
2-fluoro-2-methyl-3-(2-methylphenyl)propan-1-amine
CID 84718573
3-(aminomethyl)-3-methyl-4-(2-methylphenyl)butan-2-ol
CID 65392997

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2,3-bis(2-methylphenyl)propanoic acid?
The IUPAC name of 2-(aminomethyl)-2,3-bis(2-methylphenyl)propanoic acid (CID 106509102) is 2-(aminomethyl)-2,3-bis(2-methylphenyl)propanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2,3-bis(2-methylphenyl)propanoic acid?
The canonical SMILES for 2-(aminomethyl)-2,3-bis(2-methylphenyl)propanoic acid is Cc1ccccc1CC(CN)(C(=O)O)c1ccccc1C.
What is the InChIKey of 2-(aminomethyl)-2,3-bis(2-methylphenyl)propanoic acid?
The InChIKey is FOHXJCKNUXIFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-7-3-5-9-15(13)11-18(12-19,17(20)21)16-10-6-4-8-14(16)2/h3-10H,11-12,19H2,1-2H3,(H,20,21).
What are the key properties of 2-(aminomethyl)-2,3-bis(2-methylphenyl)propanoic acid?
2-(aminomethyl)-2,3-bis(2-methylphenyl)propanoic acid has a molecular weight of 283.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2,3-bis(2-methylphenyl)propanoic acid is sourced from PubChem (CID 106509102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).