2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid

C17H18ClNO2 — CID 115462653

IUPAC2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
SMILESCN(Cc1ccccc1Cl)Cc1ccccc1CC(=O)O
InChIInChI=1S/C17H18ClNO2/c1-19(12-15-8-4-5-9-16(15)18)11-14-7-3-2-6-13(14)10-17(20)21/h2-9H,10-12H2,1H3,(H,20,21)
InChIKeyJGAZYTRCXQILIH-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.60
Rot. Bonds6

About 2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid

2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid (PubChem CID 115462653) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
PubChem CID115462653
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
SMILESCN(Cc1ccccc1Cl)Cc1ccccc1CC(=O)O
InChIInChI=1S/C17H18ClNO2/c1-19(12-15-8-4-5-9-16(15)18)11-14-7-3-2-6-13(14)10-17(20)21/h2-9H,10-12H2,1H3,(H,20,21)
InChIKeyJGAZYTRCXQILIH-UHFFFAOYSA-N
XLogP3.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
4-[(2-chlorophenyl)methyl-methylamino]-3-hydroxybutanoic acid
CID 82777064
3-[[(2-chlorophenyl)methyl-methylamino]methyl]-4-fluorobenzoic acid
CID 63074911
1-[(2-chlorophenyl)methyl-methylamino]-4,4-dimethylpentan-3-one
CID 55098471
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methylbutanoic acid
CID 62270705
3-[(2-chlorophenyl)methyl-methylamino]-2-phenylpropanoic acid
CID 63075087
6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904019
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179
N-[(2-bromophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine
CID 60646435
2-[2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid
CID 115462619
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
3-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]thiophen-3-yl]prop-2-enoic acid
CID 76917680

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid (CID 115462653) is 2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid is CN(Cc1ccccc1Cl)Cc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid?
The InChIKey is JGAZYTRCXQILIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-19(12-15-8-4-5-9-16(15)18)11-14-7-3-2-6-13(14)10-17(20)21/h2-9H,10-12H2,1H3,(H,20,21).
What are the key properties of 2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid?
2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid has a molecular weight of 303.79 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid is sourced from PubChem (CID 115462653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).