4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride

C15H22Cl2N2O2 — CID 120918657

IUPAC4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride
SMILESCN(Cc1cccc(Cl)c1)C(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-18(10-12-3-2-4-13(16)9-12)14(19)15(11-17)5-7-20-8-6-15;/h2-4,9H,5-8,10-11,17H2,1H3;1H
InChIKeyFRBWCCSFMYLNFG-UHFFFAOYSA-N
MW333.26 g/mol
LogP2.48
Rot. Bonds4

About 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride (PubChem CID 120918657) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride
PubChem CID120918657
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride
SMILESCN(Cc1cccc(Cl)c1)C(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-18(10-12-3-2-4-13(16)9-12)14(19)15(11-17)5-7-20-8-6-15;/h2-4,9H,5-8,10-11,17H2,1H3;1H
InChIKeyFRBWCCSFMYLNFG-UHFFFAOYSA-N
XLogP2.48
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120918448
4-(aminomethyl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyloxane-4-carboxamide
CID 120927235
4-(aminomethyl)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120930132
1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 80588544
4-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120918678
N-[(3-chlorophenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63139872
4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyloxane-4-carboxamide
CID 115439217
[4-(aminomethyl)oxan-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120937747
3-amino-N-[(3-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 64893376
4-(4-chlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide
CID 134787709
4-(aminomethyl)-N-methyl-N-phenyloxane-4-carboxamide;hydrochloride
CID 120916942
4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120926400

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride (CID 120918657) is 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride is CN(Cc1cccc(Cl)c1)C(=O)C1(CN)CCOCC1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride?
The InChIKey is FRBWCCSFMYLNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2.ClH/c1-18(10-12-3-2-4-13(16)9-12)14(19)15(11-17)5-7-20-8-6-15;/h2-4,9H,5-8,10-11,17H2,1H3;1H.
What are the key properties of 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride has a molecular weight of 333.26 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120918657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).