2-[4-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]acetic acid

C17H18FNO2 — CID 105345750

IUPAC2-[4-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
SMILESCN(Cc1ccc(CC(=O)O)cc1)Cc1ccccc1F
InChIInChI=1S/C17H18FNO2/c1-19(12-15-4-2-3-5-16(15)18)11-14-8-6-13(7-9-14)10-17(20)21/h2-9H,10-12H2,1H3,(H,20,21)
InChIKeyDYPFFONJTGOJKH-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.08
Rot. Bonds6

About 2-[4-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]acetic acid

2-[4-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]acetic acid (PubChem CID 105345750) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-[4-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
PubChem CID105345750
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name2-[4-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
SMILESCN(Cc1ccc(CC(=O)O)cc1)Cc1ccccc1F
InChIInChI=1S/C17H18FNO2/c1-19(12-15-4-2-3-5-16(15)18)11-14-8-6-13(7-9-14)10-17(20)21/h2-9H,10-12H2,1H3,(H,20,21)
InChIKeyDYPFFONJTGOJKH-UHFFFAOYSA-N
XLogP3.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(2-fluorophenyl)methyl-methylamino]methyl]benzohydrazide
CID 63583693
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one
CID 62051935
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 60647903
2-fluoro-4-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline
CID 63188598
2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 78771203
3-[(2-fluorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 61412681
1-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 60650512
2-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]acetic acid
CID 105345659
3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 60674294
2-[4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345673

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]acetic acid (CID 105345750) is 2-[4-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]acetic acid is CN(Cc1ccc(CC(=O)O)cc1)Cc1ccccc1F.
What is the InChIKey of 2-[4-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]acetic acid?
The InChIKey is DYPFFONJTGOJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-19(12-15-4-2-3-5-16(15)18)11-14-8-6-13(7-9-14)10-17(20)21/h2-9H,10-12H2,1H3,(H,20,21).
What are the key properties of 2-[4-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]acetic acid?
2-[4-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]acetic acid has a molecular weight of 287.33 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]acetic acid is sourced from PubChem (CID 105345750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).