4-(aminomethyl)-N-methyl-N-phenyloxane-4-carboxamide;hydrochloride

C14H21ClN2O2 — CID 120916942

IUPAC4-(aminomethyl)-N-methyl-N-phenyloxane-4-carboxamide;hydrochloride
SMILESCN(C(=O)C1(CN)CCOCC1)c1ccccc1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-16(12-5-3-2-4-6-12)13(17)14(11-15)7-9-18-10-8-14;/h2-6H,7-11,15H2,1H3;1H
InChIKeyZOPHELYYRCJLHB-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.83
Rot. Bonds3

About 4-(aminomethyl)-N-methyl-N-phenyloxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-methyl-N-phenyloxane-4-carboxamide;hydrochloride (PubChem CID 120916942) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-phenyloxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-phenyloxane-4-carboxamide;hydrochloride
PubChem CID120916942
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name4-(aminomethyl)-N-methyl-N-phenyloxane-4-carboxamide;hydrochloride
SMILESCN(C(=O)C1(CN)CCOCC1)c1ccccc1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-16(12-5-3-2-4-6-12)13(17)14(11-15)7-9-18-10-8-14;/h2-6H,7-11,15H2,1H3;1H
InChIKeyZOPHELYYRCJLHB-UHFFFAOYSA-N
XLogP1.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(4-tert-butylphenyl)-N-methyloxane-4-carboxamide
CID 120927474
1-(aminomethyl)-N-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 115182580
4-(aminomethyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide
CID 115439457
4-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]benzoic acid
CID 104698752
1-amino-N-methyl-N-phenylcyclopentane-1-carboxamide;hydrochloride
CID 119261831
4-[[[methyl(phenyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid
CID 115440277
4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120918448
4-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-N-methyloxane-4-carboxamide
CID 120941164
benzyl 4-(aminomethyl)oxane-4-carboxylate
CID 115440225
3-(aminomethyl)-N-methyl-N-(3-methylphenyl)oxetane-3-carboxamide
CID 115185610
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120918657
4-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-ethyloxane-4-carboxamide;hydrochloride
CID 120924213

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-phenyloxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-phenyloxane-4-carboxamide;hydrochloride (CID 120916942) is 4-(aminomethyl)-N-methyl-N-phenyloxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-phenyloxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-phenyloxane-4-carboxamide;hydrochloride is CN(C(=O)C1(CN)CCOCC1)c1ccccc1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-phenyloxane-4-carboxamide;hydrochloride?
The InChIKey is ZOPHELYYRCJLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-16(12-5-3-2-4-6-12)13(17)14(11-15)7-9-18-10-8-14;/h2-6H,7-11,15H2,1H3;1H.
What are the key properties of 4-(aminomethyl)-N-methyl-N-phenyloxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-methyl-N-phenyloxane-4-carboxamide;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-phenyloxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120916942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).