2-[4-(aminomethyl)phenoxy]-4-methylbenzamide

C15H16N2O2 — CID 106485646

IUPAC2-[4-(aminomethyl)phenoxy]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(Oc2ccc(CN)cc2)c1
InChIInChI=1S/C15H16N2O2/c1-10-2-7-13(15(17)18)14(8-10)19-12-5-3-11(9-16)4-6-12/h2-8H,9,16H2,1H3,(H2,17,18)
InChIKeyYSFCOCHXEIDFKC-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.34
Rot. Bonds4

About 2-[4-(aminomethyl)phenoxy]-4-methylbenzamide

2-[4-(aminomethyl)phenoxy]-4-methylbenzamide (PubChem CID 106485646) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenoxy]-4-methylbenzamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenoxy]-4-methylbenzamide
PubChem CID106485646
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-[4-(aminomethyl)phenoxy]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(Oc2ccc(CN)cc2)c1
InChIInChI=1S/C15H16N2O2/c1-10-2-7-13(15(17)18)14(8-10)19-12-5-3-11(9-16)4-6-12/h2-8H,9,16H2,1H3,(H2,17,18)
InChIKeyYSFCOCHXEIDFKC-UHFFFAOYSA-N
XLogP2.34
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenoxy)-4-methylbenzamide
CID 62308033
2-(4-bromophenoxy)-4-methylbenzamide
CID 62308096
2-(2-aminoethoxy)-4-methylbenzamide
CID 62349382
2-(3-bromo-4-fluorophenoxy)-4-methylbenzamide
CID 83233548
2-[4-(2-hydroxyethyl)phenoxy]-4-methylbenzoic acid
CID 107708690
4-methyl-2-[(4-propoxyphenyl)methoxy]benzamide
CID 75396537
2-(2-hydroxyethoxy)-4-methylbenzamide
CID 67742497
2-(4-ethylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938935
[4-(2,3,5-trimethylphenoxy)phenyl]methanamine
CID 20986827
[4-[2-(aminomethyl)-5-methylphenoxy]phenyl]methanol
CID 62306971
N'-hydroxy-4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 55056871
2-(4-methoxyphenoxy)-4-methylbenzoic acid
CID 55107428

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenoxy]-4-methylbenzamide?
The IUPAC name of 2-[4-(aminomethyl)phenoxy]-4-methylbenzamide (CID 106485646) is 2-[4-(aminomethyl)phenoxy]-4-methylbenzamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenoxy]-4-methylbenzamide?
The canonical SMILES for 2-[4-(aminomethyl)phenoxy]-4-methylbenzamide is Cc1ccc(C(N)=O)c(Oc2ccc(CN)cc2)c1.
What is the InChIKey of 2-[4-(aminomethyl)phenoxy]-4-methylbenzamide?
The InChIKey is YSFCOCHXEIDFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-2-7-13(15(17)18)14(8-10)19-12-5-3-11(9-16)4-6-12/h2-8H,9,16H2,1H3,(H2,17,18).
What are the key properties of 2-[4-(aminomethyl)phenoxy]-4-methylbenzamide?
2-[4-(aminomethyl)phenoxy]-4-methylbenzamide has a molecular weight of 256.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenoxy]-4-methylbenzamide is sourced from PubChem (CID 106485646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).