4-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-ethyloxane-4-carboxamide;hydrochloride

C16H24Cl2N2O2 — CID 120924213

IUPAC4-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-ethyloxane-4-carboxamide;hydrochloride
SMILESCCN(Cc1ccccc1Cl)C(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C16H23ClN2O2.ClH/c1-2-19(11-13-5-3-4-6-14(13)17)15(20)16(12-18)7-9-21-10-8-16;/h3-6H,2,7-12,18H2,1H3;1H
InChIKeyGLTRAYPRAVVUEA-UHFFFAOYSA-N
MW347.29 g/mol
LogP2.87
Rot. Bonds5

About 4-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-ethyloxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-ethyloxane-4-carboxamide;hydrochloride (PubChem CID 120924213) has the molecular formula C16H24Cl2N2O2 and a molecular weight of 347.29 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-ethyloxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-ethyloxane-4-carboxamide;hydrochloride
PubChem CID120924213
Molecular FormulaC16H24Cl2N2O2
Molecular Weight347.29 g/mol
Exact Mass346.12
IUPAC Name4-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-ethyloxane-4-carboxamide;hydrochloride
SMILESCCN(Cc1ccccc1Cl)C(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C16H23ClN2O2.ClH/c1-2-19(11-13-5-3-4-6-14(13)17)15(20)16(12-18)7-9-21-10-8-16;/h3-6H,2,7-12,18H2,1H3;1H
InChIKeyGLTRAYPRAVVUEA-UHFFFAOYSA-N
XLogP2.87
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyloxane-4-carboxamide
CID 120931177
3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 60938834
4-(aminomethyl)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyloxane-4-carboxamide;dihydrochloride
CID 120942638
4-(aminomethyl)-N-[2-(2-chlorophenyl)ethyl]oxane-4-carboxamide
CID 120921537
4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyloxane-4-carboxamide;hydrochloride
CID 120932569
4-(aminomethyl)-N-methyl-N-phenyloxane-4-carboxamide;hydrochloride
CID 120916942
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopropane-1-carboxamide
CID 115452737
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120918657
1-acetyl-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxypiperidine-3-carboxamide
CID 154739270
4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyloxane-4-carboxamide
CID 63956780
4-(aminomethyl)-N-[(2-ethylphenyl)methyl]oxane-4-carboxamide
CID 64679884
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclobutane-1-carboxamide
CID 113311611

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-ethyloxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-ethyloxane-4-carboxamide;hydrochloride (CID 120924213) is 4-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-ethyloxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-ethyloxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-ethyloxane-4-carboxamide;hydrochloride is CCN(Cc1ccccc1Cl)C(=O)C1(CN)CCOCC1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-ethyloxane-4-carboxamide;hydrochloride?
The InChIKey is GLTRAYPRAVVUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2.ClH/c1-2-19(11-13-5-3-4-6-14(13)17)15(20)16(12-18)7-9-21-10-8-16;/h3-6H,2,7-12,18H2,1H3;1H.
What are the key properties of 4-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-ethyloxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-ethyloxane-4-carboxamide;hydrochloride has a molecular weight of 347.29 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-ethyloxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120924213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).