[4-(aminomethyl)oxan-4-yl]-(2,6-difluoro-3-methylphenyl)methanone

C14H17F2NO2 — CID 116603226

IUPAC[4-(aminomethyl)oxan-4-yl]-(2,6-difluoro-3-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)C2(CN)CCOCC2)c1F
InChIInChI=1S/C14H17F2NO2/c1-9-2-3-10(15)11(12(9)16)13(18)14(8-17)4-6-19-7-5-14/h2-3H,4-8,17H2,1H3
InChIKeyDARZZDPONXXJOG-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.21
Rot. Bonds3

About [4-(aminomethyl)oxan-4-yl]-(2,6-difluoro-3-methylphenyl)methanone

[4-(aminomethyl)oxan-4-yl]-(2,6-difluoro-3-methylphenyl)methanone (PubChem CID 116603226) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-(2,6-difluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-(2,6-difluoro-3-methylphenyl)methanone
PubChem CID116603226
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name[4-(aminomethyl)oxan-4-yl]-(2,6-difluoro-3-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)C2(CN)CCOCC2)c1F
InChIInChI=1S/C14H17F2NO2/c1-9-2-3-10(15)11(12(9)16)13(18)14(8-17)4-6-19-7-5-14/h2-3H,4-8,17H2,1H3
InChIKeyDARZZDPONXXJOG-UHFFFAOYSA-N
XLogP2.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)oxan-4-yl]-(2,3,4-trifluorophenyl)methanone
CID 116603183
[4-(aminomethyl)oxan-4-yl]-(2-amino-4-methyl-3-pyridinyl)methanone
CID 116603035
2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide
CID 106297385
(2,6-difluoro-3-methylphenyl)-(3-ethylpyrrolidin-3-yl)methanone
CID 116570430
[4-(aminomethyl)oxan-4-yl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102756941
[1-(aminomethyl)cyclohexyl]-(2,3-difluoro-4-methylphenyl)methanone
CID 107514977
(2,6-difluoro-3-methylphenyl)-(3-ethylpiperidin-3-yl)methanone
CID 116568708
1-[4-(aminomethyl)oxan-4-yl]-2-(2,6-dimethylphenyl)ethanone
CID 116603088
[4-(aminomethyl)oxan-4-yl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291122
4-(aminomethyl)-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]oxane-4-carboxamide;hydrochloride
CID 120921353
[4-(aminomethyl)oxan-4-yl]-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116603132
[4-(aminomethyl)oxan-4-yl]-(5-methylthiophen-3-yl)methanone
CID 116603243

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-(2,6-difluoro-3-methylphenyl)methanone?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-(2,6-difluoro-3-methylphenyl)methanone (CID 116603226) is [4-(aminomethyl)oxan-4-yl]-(2,6-difluoro-3-methylphenyl)methanone.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-(2,6-difluoro-3-methylphenyl)methanone?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-(2,6-difluoro-3-methylphenyl)methanone is Cc1ccc(F)c(C(=O)C2(CN)CCOCC2)c1F.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-(2,6-difluoro-3-methylphenyl)methanone?
The InChIKey is DARZZDPONXXJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-9-2-3-10(15)11(12(9)16)13(18)14(8-17)4-6-19-7-5-14/h2-3H,4-8,17H2,1H3.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-(2,6-difluoro-3-methylphenyl)methanone?
[4-(aminomethyl)oxan-4-yl]-(2,6-difluoro-3-methylphenyl)methanone has a molecular weight of 269.29 g/mol, XLogP of 2.21, 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]-(2,6-difluoro-3-methylphenyl)methanone is sourced from PubChem (CID 116603226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).