[4-(aminomethyl)oxan-4-yl]-(2,3-dichlorophenyl)methanone

C13H15Cl2NO2 — CID 116603072

IUPAC[4-(aminomethyl)oxan-4-yl]-(2,3-dichlorophenyl)methanone
SMILESNCC1(C(=O)c2cccc(Cl)c2Cl)CCOCC1
InChIInChI=1S/C13H15Cl2NO2/c14-10-3-1-2-9(11(10)15)12(17)13(8-16)4-6-18-7-5-13/h1-3H,4-8,16H2
InChIKeyOCXRRQRIJMCKBV-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.93
Rot. Bonds3

About [4-(aminomethyl)oxan-4-yl]-(2,3-dichlorophenyl)methanone

[4-(aminomethyl)oxan-4-yl]-(2,3-dichlorophenyl)methanone (PubChem CID 116603072) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-(2,3-dichlorophenyl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-(2,3-dichlorophenyl)methanone
PubChem CID116603072
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name[4-(aminomethyl)oxan-4-yl]-(2,3-dichlorophenyl)methanone
SMILESNCC1(C(=O)c2cccc(Cl)c2Cl)CCOCC1
InChIInChI=1S/C13H15Cl2NO2/c14-10-3-1-2-9(11(10)15)12(17)13(8-16)4-6-18-7-5-13/h1-3H,4-8,16H2
InChIKeyOCXRRQRIJMCKBV-UHFFFAOYSA-N
XLogP2.93
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 52.93
H-Bond Donors ≤ 51
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)oxan-4-yl]-(2,3,4-trifluorophenyl)methanone
CID 116603183
[4-(aminomethyl)oxan-4-yl]-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 120933176
4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)oxane-4-carboxamide
CID 115438956
4-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]oxane-4-carboxamide
CID 120921952
[4-(aminomethyl)oxan-4-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 120937744
[4-(aminomethyl)oxan-4-yl]-isoquinolin-4-ylmethanone
CID 116603074
4-(aminomethyl)-N-[2-(2-chlorophenyl)ethyl]oxane-4-carboxamide
CID 120921537
[1-(aminomethyl)cyclopropyl]-(2-hydroxyphenyl)methanone
CID 105444935
4-(aminomethyl)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride
CID 120927437
4-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120918857
[4-(aminomethyl)oxan-4-yl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102756941

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-(2,3-dichlorophenyl)methanone?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-(2,3-dichlorophenyl)methanone (CID 116603072) is [4-(aminomethyl)oxan-4-yl]-(2,3-dichlorophenyl)methanone.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-(2,3-dichlorophenyl)methanone?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-(2,3-dichlorophenyl)methanone is NCC1(C(=O)c2cccc(Cl)c2Cl)CCOCC1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-(2,3-dichlorophenyl)methanone?
The InChIKey is OCXRRQRIJMCKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c14-10-3-1-2-9(11(10)15)12(17)13(8-16)4-6-18-7-5-13/h1-3H,4-8,16H2.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-(2,3-dichlorophenyl)methanone?
[4-(aminomethyl)oxan-4-yl]-(2,3-dichlorophenyl)methanone has a molecular weight of 288.17 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-(2,3-dichlorophenyl)methanone is sourced from PubChem (CID 116603072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).