2-fluoro-6-[methyl(oxan-2-ylmethyl)amino]benzoic acid

C14H18FNO3 — CID 79522764

IUPAC2-fluoro-6-[methyl(oxan-2-ylmethyl)amino]benzoic acid
SMILESCN(CC1CCCCO1)c1cccc(F)c1C(=O)O
InChIInChI=1S/C14H18FNO3/c1-16(9-10-5-2-3-8-19-10)12-7-4-6-11(15)13(12)14(17)18/h4,6-7,10H,2-3,5,8-9H2,1H3,(H,17,18)
InChIKeyDRQYDSZTMFQKTA-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.53
Rot. Bonds4

About 2-fluoro-6-[methyl(oxan-2-ylmethyl)amino]benzoic acid

2-fluoro-6-[methyl(oxan-2-ylmethyl)amino]benzoic acid (PubChem CID 79522764) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-fluoro-6-[methyl(oxan-2-ylmethyl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[methyl(oxan-2-ylmethyl)amino]benzoic acid
PubChem CID79522764
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-fluoro-6-[methyl(oxan-2-ylmethyl)amino]benzoic acid
SMILESCN(CC1CCCCO1)c1cccc(F)c1C(=O)O
InChIInChI=1S/C14H18FNO3/c1-16(9-10-5-2-3-8-19-10)12-7-4-6-11(15)13(12)14(17)18/h4,6-7,10H,2-3,5,8-9H2,1H3,(H,17,18)
InChIKeyDRQYDSZTMFQKTA-UHFFFAOYSA-N
XLogP2.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-[methyl(oxan-2-ylmethyl)amino]benzoic acid
CID 62648696
2-(1-aminoethyl)-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432188
1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one
CID 114972950
2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770
1-[3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]phenyl]ethanone
CID 61432381
[2-chloro-6-[methyl(oxan-2-ylmethyl)amino]phenyl]methanol
CID 61431905
N-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86825135
1-(2-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61431968
2-fluoro-3-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid
CID 107119393
2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432443
1-[3-fluoro-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanol
CID 61432196
2-(bromomethyl)-3-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 107081245

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[methyl(oxan-2-ylmethyl)amino]benzoic acid?
The IUPAC name of 2-fluoro-6-[methyl(oxan-2-ylmethyl)amino]benzoic acid (CID 79522764) is 2-fluoro-6-[methyl(oxan-2-ylmethyl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[methyl(oxan-2-ylmethyl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-6-[methyl(oxan-2-ylmethyl)amino]benzoic acid is CN(CC1CCCCO1)c1cccc(F)c1C(=O)O.
What is the InChIKey of 2-fluoro-6-[methyl(oxan-2-ylmethyl)amino]benzoic acid?
The InChIKey is DRQYDSZTMFQKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-16(9-10-5-2-3-8-19-10)12-7-4-6-11(15)13(12)14(17)18/h4,6-7,10H,2-3,5,8-9H2,1H3,(H,17,18).
What are the key properties of 2-fluoro-6-[methyl(oxan-2-ylmethyl)amino]benzoic acid?
2-fluoro-6-[methyl(oxan-2-ylmethyl)amino]benzoic acid has a molecular weight of 267.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[methyl(oxan-2-ylmethyl)amino]benzoic acid is sourced from PubChem (CID 79522764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).