4-(aminomethyl)-N-[2-(2-chlorophenyl)ethyl]oxane-4-carboxamide

C15H21ClN2O2 — CID 120921537

IUPAC4-(aminomethyl)-N-[2-(2-chlorophenyl)ethyl]oxane-4-carboxamide
SMILESNCC1(C(=O)NCCc2ccccc2Cl)CCOCC1
InChIInChI=1S/C15H21ClN2O2/c16-13-4-2-1-3-12(13)5-8-18-14(19)15(11-17)6-9-20-10-7-15/h1-4H,5-11,17H2,(H,18,19)
InChIKeyJIYQDADOORVQAD-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.75
Rot. Bonds5

About 4-(aminomethyl)-N-[2-(2-chlorophenyl)ethyl]oxane-4-carboxamide

4-(aminomethyl)-N-[2-(2-chlorophenyl)ethyl]oxane-4-carboxamide (PubChem CID 120921537) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(2-chlorophenyl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(2-chlorophenyl)ethyl]oxane-4-carboxamide
PubChem CID120921537
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name4-(aminomethyl)-N-[2-(2-chlorophenyl)ethyl]oxane-4-carboxamide
SMILESNCC1(C(=O)NCCc2ccccc2Cl)CCOCC1
InChIInChI=1S/C15H21ClN2O2/c16-13-4-2-1-3-12(13)5-8-18-14(19)15(11-17)6-9-20-10-7-15/h1-4H,5-11,17H2,(H,18,19)
InChIKeyJIYQDADOORVQAD-UHFFFAOYSA-N
XLogP1.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[2-(2,3-dichlorophenyl)ethyl]oxane-4-carboxamide
CID 120926006
4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]oxane-4-carboxamide
CID 120930913
4-(aminomethyl)-N-[(2-ethylphenyl)methyl]oxane-4-carboxamide
CID 64679884
1-(aminomethyl)-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 81484979
4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120922301
4-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]oxane-4-carboxamide
CID 120921952
4-(aminomethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]oxane-4-carboxamide
CID 120929098
4-(aminomethyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]oxane-4-carboxamide
CID 120925955
4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120919233
3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684846
4-(aminomethyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]oxane-4-carboxamide
CID 120919849
4-(aminomethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]oxane-4-carboxamide
CID 120931113

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(2-chlorophenyl)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(2-chlorophenyl)ethyl]oxane-4-carboxamide (CID 120921537) is 4-(aminomethyl)-N-[2-(2-chlorophenyl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(2-chlorophenyl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(2-chlorophenyl)ethyl]oxane-4-carboxamide is NCC1(C(=O)NCCc2ccccc2Cl)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(2-chlorophenyl)ethyl]oxane-4-carboxamide?
The InChIKey is JIYQDADOORVQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c16-13-4-2-1-3-12(13)5-8-18-14(19)15(11-17)6-9-20-10-7-15/h1-4H,5-11,17H2,(H,18,19).
What are the key properties of 4-(aminomethyl)-N-[2-(2-chlorophenyl)ethyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[2-(2-chlorophenyl)ethyl]oxane-4-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(2-chlorophenyl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 120921537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).