2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetic acid

C16H16ClNO2 — CID 61416812

IUPAC2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetic acid
SMILESCN(Cc1ccccc1Cl)C(C(=O)O)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-18(11-13-9-5-6-10-14(13)17)15(16(19)20)12-7-3-2-4-8-12/h2-10,15H,11H2,1H3,(H,19,20)
InChIKeyIBHRFSTXBNHSQD-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.60
Rot. Bonds5

About 2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetic acid

2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetic acid (PubChem CID 61416812) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetic acid
PubChem CID61416812
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetic acid
SMILESCN(Cc1ccccc1Cl)C(C(=O)O)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-18(11-13-9-5-6-10-14(13)17)15(16(19)20)12-7-3-2-4-8-12/h2-10,15H,11H2,1H3,(H,19,20)
InChIKeyIBHRFSTXBNHSQD-UHFFFAOYSA-N
XLogP3.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetamide
CID 46678627
2-[(2,3-dichlorophenyl)methyl-methylamino]-2-phenylacetamide
CID 24584549
(2S)-2-[(2-chlorophenyl)methyl-methylamino]-4-methylpentanoic acid
CID 70067547
3-[(2-chlorophenyl)methyl-methylamino]-2-phenylpropanoic acid
CID 63075087
2-[(2-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
CID 46801717
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-phenylacetic acid
CID 61441934
(2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide
CID 8541703
3-[(2-chlorophenyl)methyl-methylamino]-4,4,4-trifluorobutanoic acid
CID 63074913
3-[(2-chlorophenyl)methyl-methylamino]-3-phenylpropanethioamide
CID 62779797
2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-phenylacetic acid
CID 79387422
2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 115462653
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetic acid
CID 43526412

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetic acid?
The IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetic acid (CID 61416812) is 2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetic acid is CN(Cc1ccccc1Cl)C(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetic acid?
The InChIKey is IBHRFSTXBNHSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-18(11-13-9-5-6-10-14(13)17)15(16(19)20)12-7-3-2-4-8-12/h2-10,15H,11H2,1H3,(H,19,20).
What are the key properties of 2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetic acid?
2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetic acid has a molecular weight of 289.76 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetic acid is sourced from PubChem (CID 61416812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).