2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-methylpropanoic acid

C17H18ClNO2 — CID 110452184

IUPAC2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccccc1NCc1ccccc1Cl
InChIInChI=1S/C17H18ClNO2/c1-17(2,16(20)21)13-8-4-6-10-15(13)19-11-12-7-3-5-9-14(12)18/h3-10,19H,11H2,1-2H3,(H,20,21)
InChIKeyMNJUKELYXCFCMZ-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.31
Rot. Bonds5

About 2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-methylpropanoic acid

2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-methylpropanoic acid (PubChem CID 110452184) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-methylpropanoic acid
PubChem CID110452184
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccccc1NCc1ccccc1Cl
InChIInChI=1S/C17H18ClNO2/c1-17(2,16(20)21)13-8-4-6-10-15(13)19-11-12-7-3-5-9-14(12)18/h3-10,19H,11H2,1-2H3,(H,20,21)
InChIKeyMNJUKELYXCFCMZ-UHFFFAOYSA-N
XLogP4.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(2-chlorophenyl)methylamino]phenyl]acetamide
CID 43738427
methyl 2-[(2-chlorophenyl)methylamino]benzoate
CID 43087858
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CID 110452209
2-[2-[(2-methoxy-2-oxoethyl)amino]phenyl]-2-methylpropanoic acid
CID 82539674
2-[2-(3-hydroxypropylamino)phenyl]-2-methylpropanoic acid
CID 82539740
4-[[2-[2-[(2-chlorophenyl)methylamino]phenyl]-1-oxopropan-2-yl]amino]-N-hydroxybenzamide
CID 88849505
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263929
N-(2-tert-butylphenyl)-2-[(2-chlorophenyl)methylamino]acetamide
CID 108997968
2-tert-butyl-N-[(3-chloro-2-fluorophenyl)methyl]aniline
CID 114487326
2-[2-[(3,4-dimethoxyphenyl)methylamino]phenyl]-2-methylpropanoic acid
CID 110452270
2-[2-[(2,3-dichloroanilino)methyl]phenyl]acetic acid
CID 115461544
2-chloro-6-[(2-ethylphenyl)methylamino]benzoic acid
CID 64694791

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-methylpropanoic acid (CID 110452184) is 2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1ccccc1NCc1ccccc1Cl.
What is the InChIKey of 2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-methylpropanoic acid?
The InChIKey is MNJUKELYXCFCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-17(2,16(20)21)13-8-4-6-10-15(13)19-11-12-7-3-5-9-14(12)18/h3-10,19H,11H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-methylpropanoic acid?
2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-methylpropanoic acid has a molecular weight of 303.79 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 110452184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).