2-(difluoromethoxy)-5-methoxy-N-(oxan-3-ylmethyl)aniline

C14H19F2NO3 — CID 63740019

IUPAC2-(difluoromethoxy)-5-methoxy-N-(oxan-3-ylmethyl)aniline
SMILESCOc1ccc(OC(F)F)c(NCC2CCCOC2)c1
InChIInChI=1S/C14H19F2NO3/c1-18-11-4-5-13(20-14(15)16)12(7-11)17-8-10-3-2-6-19-9-10/h4-5,7,10,14,17H,2-3,6,8-9H2,1H3
InChIKeyHBBGFTWUHCUPAN-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.14
Rot. Bonds6

About 2-(difluoromethoxy)-5-methoxy-N-(oxan-3-ylmethyl)aniline

2-(difluoromethoxy)-5-methoxy-N-(oxan-3-ylmethyl)aniline (PubChem CID 63740019) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-methoxy-N-(oxan-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-methoxy-N-(oxan-3-ylmethyl)aniline
PubChem CID63740019
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Name2-(difluoromethoxy)-5-methoxy-N-(oxan-3-ylmethyl)aniline
SMILESCOc1ccc(OC(F)F)c(NCC2CCCOC2)c1
InChIInChI=1S/C14H19F2NO3/c1-18-11-4-5-13(20-14(15)16)12(7-11)17-8-10-3-2-6-19-9-10/h4-5,7,10,14,17H,2-3,6,8-9H2,1H3
InChIKeyHBBGFTWUHCUPAN-UHFFFAOYSA-N
XLogP3.14
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(difluoromethoxy)-4-methoxy-N-(oxan-3-ylmethyl)aniline
CID 63739495
2-(difluoromethoxy)-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637305
N-[4-methoxy-3-(oxan-3-ylmethylamino)phenyl]acetamide
CID 63740553
2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline
CID 43699541
5-methoxy-2-nitro-N-(oxolan-3-ylmethyl)aniline
CID 79033445
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-(oxan-3-yl)methanamine
CID 61020258
1-chloro-3-[2-(difluoromethoxy)-5-methoxyanilino]propan-2-ol
CID 168639388
1-N-[2-(difluoromethoxy)-5-methoxyphenyl]cyclobutane-1,3-diamine
CID 80559714
3-[2-(difluoromethoxy)-5-methoxyanilino]-2,2-dimethylpropan-1-ol
CID 81412021
N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658341
2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-methylbutan-1-ol
CID 81412901
5-(2-fluoro-4-methoxyphenyl)-4-methyl-N-(oxan-3-ylmethyl)pyrimidin-2-amine
CID 170925586

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-methoxy-N-(oxan-3-ylmethyl)aniline?
The IUPAC name of 2-(difluoromethoxy)-5-methoxy-N-(oxan-3-ylmethyl)aniline (CID 63740019) is 2-(difluoromethoxy)-5-methoxy-N-(oxan-3-ylmethyl)aniline.
What is the SMILES notation for 2-(difluoromethoxy)-5-methoxy-N-(oxan-3-ylmethyl)aniline?
The canonical SMILES for 2-(difluoromethoxy)-5-methoxy-N-(oxan-3-ylmethyl)aniline is COc1ccc(OC(F)F)c(NCC2CCCOC2)c1.
What is the InChIKey of 2-(difluoromethoxy)-5-methoxy-N-(oxan-3-ylmethyl)aniline?
The InChIKey is HBBGFTWUHCUPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-18-11-4-5-13(20-14(15)16)12(7-11)17-8-10-3-2-6-19-9-10/h4-5,7,10,14,17H,2-3,6,8-9H2,1H3.
What are the key properties of 2-(difluoromethoxy)-5-methoxy-N-(oxan-3-ylmethyl)aniline?
2-(difluoromethoxy)-5-methoxy-N-(oxan-3-ylmethyl)aniline has a molecular weight of 287.31 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-methoxy-N-(oxan-3-ylmethyl)aniline is sourced from PubChem (CID 63740019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).