4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride

C15H23ClN2O2 — CID 120919233

IUPAC4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
SMILESCc1ccccc1CNC(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-12-4-2-3-5-13(12)10-17-14(18)15(11-16)6-8-19-9-7-15;/h2-5H,6-11,16H2,1H3,(H,17,18);1H
InChIKeyIJUZLEPDWKOYIR-UHFFFAOYSA-N
MW298.81 g/mol
LogP1.79
Rot. Bonds4

About 4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride (PubChem CID 120919233) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
PubChem CID120919233
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
SMILESCc1ccccc1CNC(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-12-4-2-3-5-13(12)10-17-14(18)15(11-16)6-8-19-9-7-15;/h2-5H,6-11,16H2,1H3,(H,17,18);1H
InChIKeyIJUZLEPDWKOYIR-UHFFFAOYSA-N
XLogP1.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[(2-ethylphenyl)methyl]oxane-4-carboxamide
CID 64679884
4-(aminomethyl)-N-[1-(2-methylphenyl)propan-2-yl]oxane-4-carboxamide
CID 115439164
4-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120932524
1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270631
4-(aminomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120934185
1-N,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974899
4-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120922244
4-(aminomethyl)-N-[2-(2,6-dimethylphenoxy)ethyl]oxane-4-carboxamide;hydrochloride
CID 120925815
4-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxane-4-carboxamide;dihydrochloride
CID 120939373
4-(aminomethyl)-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide;dihydrochloride
CID 120942564
4-(aminomethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]oxane-4-carboxamide
CID 120920802
4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]oxane-4-carboxamide
CID 107231196

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride (CID 120919233) is 4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride is Cc1ccccc1CNC(=O)C1(CN)CCOCC1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride?
The InChIKey is IJUZLEPDWKOYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-12-4-2-3-5-13(12)10-17-14(18)15(11-16)6-8-19-9-7-15;/h2-5H,6-11,16H2,1H3,(H,17,18);1H.
What are the key properties of 4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120919233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).