2-[[3-(diethylamino)-4-fluorophenyl]methylamino]acetic acid

C13H19FN2O2 — CID 84753673

IUPAC2-[[3-(diethylamino)-4-fluorophenyl]methylamino]acetic acid
SMILESCCN(CC)c1cc(CNCC(=O)O)ccc1F
InChIInChI=1S/C13H19FN2O2/c1-3-16(4-2)12-7-10(5-6-11(12)14)8-15-9-13(17)18/h5-7,15H,3-4,8-9H2,1-2H3,(H,17,18)
InChIKeyYIDIQWFBEYOHBQ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.85
Rot. Bonds7

About 2-[[3-(diethylamino)-4-fluorophenyl]methylamino]acetic acid

2-[[3-(diethylamino)-4-fluorophenyl]methylamino]acetic acid (PubChem CID 84753673) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[[3-(diethylamino)-4-fluorophenyl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(diethylamino)-4-fluorophenyl]methylamino]acetic acid
PubChem CID84753673
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-[[3-(diethylamino)-4-fluorophenyl]methylamino]acetic acid
SMILESCCN(CC)c1cc(CNCC(=O)O)ccc1F
InChIInChI=1S/C13H19FN2O2/c1-3-16(4-2)12-7-10(5-6-11(12)14)8-15-9-13(17)18/h5-7,15H,3-4,8-9H2,1-2H3,(H,17,18)
InChIKeyYIDIQWFBEYOHBQ-UHFFFAOYSA-N
XLogP1.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[N-ethyl-5-(ethylaminomethyl)-2-fluoroanilino]propanoic acid
CID 84754002
2-[[3-[carboxymethyl(methyl)amino]-4-fluorophenyl]methylamino]acetic acid
CID 84753712
N,N-diethyl-2-fluoro-5-[[(2-fluorophenyl)methylamino]methyl]aniline
CID 84753702
5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline
CID 84753347
3-[2-fluoro-5-[(propan-2-ylamino)methyl]-N-propylanilino]propanoic acid
CID 84754015
3-[[3-[ethyl(2-hydroxyethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol
CID 84753642
N-benzyl-N-ethyl-2-fluoro-5-(propylaminomethyl)aniline
CID 84753514
2-[[4-[butyl(ethyl)amino]-3-ethoxyphenyl]methylamino]acetic acid
CID 84748733
3-[[3-[benzyl(ethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol
CID 84753512
2-[[4-[ethyl(2-hydroxyethyl)amino]-3-propan-2-yloxyphenyl]methylamino]acetic acid
CID 84750410
2-[(3,4,5-trifluorophenyl)methylamino]acetic acid
CID 63050677
N-butyl-N-ethyl-2-fluoro-5-[(prop-2-enylamino)methyl]aniline
CID 84753418

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylamino)-4-fluorophenyl]methylamino]acetic acid?
The IUPAC name of 2-[[3-(diethylamino)-4-fluorophenyl]methylamino]acetic acid (CID 84753673) is 2-[[3-(diethylamino)-4-fluorophenyl]methylamino]acetic acid.
What is the SMILES notation for 2-[[3-(diethylamino)-4-fluorophenyl]methylamino]acetic acid?
The canonical SMILES for 2-[[3-(diethylamino)-4-fluorophenyl]methylamino]acetic acid is CCN(CC)c1cc(CNCC(=O)O)ccc1F.
What is the InChIKey of 2-[[3-(diethylamino)-4-fluorophenyl]methylamino]acetic acid?
The InChIKey is YIDIQWFBEYOHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-3-16(4-2)12-7-10(5-6-11(12)14)8-15-9-13(17)18/h5-7,15H,3-4,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[[3-(diethylamino)-4-fluorophenyl]methylamino]acetic acid?
2-[[3-(diethylamino)-4-fluorophenyl]methylamino]acetic acid has a molecular weight of 254.30 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylamino)-4-fluorophenyl]methylamino]acetic acid is sourced from PubChem (CID 84753673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).