2-[2-(aminomethyl)phenoxy]-N-(4-fluoro-3-methylphenyl)acetamide

C16H17FN2O2 — CID 62808750

IUPAC2-[2-(aminomethyl)phenoxy]-N-(4-fluoro-3-methylphenyl)acetamide
SMILESCc1cc(NC(=O)COc2ccccc2CN)ccc1F
InChIInChI=1S/C16H17FN2O2/c1-11-8-13(6-7-14(11)17)19-16(20)10-21-15-5-3-2-4-12(15)9-18/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyXDEPZPCNTUPXSD-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.61
Rot. Bonds5

About 2-[2-(aminomethyl)phenoxy]-N-(4-fluoro-3-methylphenyl)acetamide

2-[2-(aminomethyl)phenoxy]-N-(4-fluoro-3-methylphenyl)acetamide (PubChem CID 62808750) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenoxy]-N-(4-fluoro-3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenoxy]-N-(4-fluoro-3-methylphenyl)acetamide
PubChem CID62808750
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-[2-(aminomethyl)phenoxy]-N-(4-fluoro-3-methylphenyl)acetamide
SMILESCc1cc(NC(=O)COc2ccccc2CN)ccc1F
InChIInChI=1S/C16H17FN2O2/c1-11-8-13(6-7-14(11)17)19-16(20)10-21-15-5-3-2-4-12(15)9-18/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyXDEPZPCNTUPXSD-UHFFFAOYSA-N
XLogP2.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyanophenoxy)-N-(4-fluoro-3-methylphenyl)acetamide
CID 62812512
2-[2-(aminomethyl)-4-methylphenoxy]-N-(4-fluorophenyl)acetamide
CID 63322519
3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride
CID 75530834
2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylphenyl)acetamide
CID 107694923
2-[2-(aminomethyl)-5-chlorophenoxy]-N-phenylacetamide
CID 114322295
2-[2-(aminomethyl)phenoxy]-N-(4,6-dimethyl-2-pyridinyl)acetamide
CID 114931741
N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29036010
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-phenylacetamide
CID 107700615
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide
CID 115952056
N-(3-chloro-4-fluorophenyl)-2-(2-ethoxyphenoxy)acetamide
CID 2578584
2-[2-(2-aminoethyl)phenoxy]-N-(4-bromophenyl)acetamide
CID 60905403
N-(4-ethoxy-3-fluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 110777396

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-(4-fluoro-3-methylphenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-(4-fluoro-3-methylphenyl)acetamide (CID 62808750) is 2-[2-(aminomethyl)phenoxy]-N-(4-fluoro-3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenoxy]-N-(4-fluoro-3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenoxy]-N-(4-fluoro-3-methylphenyl)acetamide is Cc1cc(NC(=O)COc2ccccc2CN)ccc1F.
What is the InChIKey of 2-[2-(aminomethyl)phenoxy]-N-(4-fluoro-3-methylphenyl)acetamide?
The InChIKey is XDEPZPCNTUPXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11-8-13(6-7-14(11)17)19-16(20)10-21-15-5-3-2-4-12(15)9-18/h2-8H,9-10,18H2,1H3,(H,19,20).
What are the key properties of 2-[2-(aminomethyl)phenoxy]-N-(4-fluoro-3-methylphenyl)acetamide?
2-[2-(aminomethyl)phenoxy]-N-(4-fluoro-3-methylphenyl)acetamide has a molecular weight of 288.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenoxy]-N-(4-fluoro-3-methylphenyl)acetamide is sourced from PubChem (CID 62808750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).