2-(difluoromethoxy)-5-methoxy-N-(5-methylhexan-2-yl)aniline

C15H23F2NO2 — CID 43699612

IUPAC2-(difluoromethoxy)-5-methoxy-N-(5-methylhexan-2-yl)aniline
SMILESCOc1ccc(OC(F)F)c(NC(C)CCC(C)C)c1
InChIInChI=1S/C15H23F2NO2/c1-10(2)5-6-11(3)18-13-9-12(19-4)7-8-14(13)20-15(16)17/h7-11,15,18H,5-6H2,1-4H3
InChIKeyMLEPZMCLLRVNNK-UHFFFAOYSA-N
MW287.35 g/mol
LogP4.53
Rot. Bonds8

About 2-(difluoromethoxy)-5-methoxy-N-(5-methylhexan-2-yl)aniline

2-(difluoromethoxy)-5-methoxy-N-(5-methylhexan-2-yl)aniline (PubChem CID 43699612) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-methoxy-N-(5-methylhexan-2-yl)aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-methoxy-N-(5-methylhexan-2-yl)aniline
PubChem CID43699612
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC Name2-(difluoromethoxy)-5-methoxy-N-(5-methylhexan-2-yl)aniline
SMILESCOc1ccc(OC(F)F)c(NC(C)CCC(C)C)c1
InChIInChI=1S/C15H23F2NO2/c1-10(2)5-6-11(3)18-13-9-12(19-4)7-8-14(13)20-15(16)17/h7-11,15,18H,5-6H2,1-4H3
InChIKeyMLEPZMCLLRVNNK-UHFFFAOYSA-N
XLogP4.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline
CID 43699541
4-(difluoromethoxy)-5-fluoro-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine
CID 63926092
2-(difluoromethoxy)-5-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43699655
5-chloro-2-methoxy-N-(5-methylhexan-2-yl)aniline
CID 43100580
2,5-dimethoxy-N-octan-2-ylaniline
CID 43129776
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(difluoromethoxy)-5-methoxyaniline
CID 43699631
3-[2-(difluoromethoxy)-5-methoxyanilino]-2,2-dimethylpropan-1-ol
CID 81412021
1-chloro-3-[2-(difluoromethoxy)-5-methoxyanilino]propan-2-ol
CID 168639388
2-(difluoromethoxy)-5-methoxy-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561268
2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]propanamide
CID 107903735
2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-ethylbutan-1-ol
CID 81401237
2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]phenol
CID 43699564

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-methoxy-N-(5-methylhexan-2-yl)aniline?
The IUPAC name of 2-(difluoromethoxy)-5-methoxy-N-(5-methylhexan-2-yl)aniline (CID 43699612) is 2-(difluoromethoxy)-5-methoxy-N-(5-methylhexan-2-yl)aniline.
What is the SMILES notation for 2-(difluoromethoxy)-5-methoxy-N-(5-methylhexan-2-yl)aniline?
The canonical SMILES for 2-(difluoromethoxy)-5-methoxy-N-(5-methylhexan-2-yl)aniline is COc1ccc(OC(F)F)c(NC(C)CCC(C)C)c1.
What is the InChIKey of 2-(difluoromethoxy)-5-methoxy-N-(5-methylhexan-2-yl)aniline?
The InChIKey is MLEPZMCLLRVNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-10(2)5-6-11(3)18-13-9-12(19-4)7-8-14(13)20-15(16)17/h7-11,15,18H,5-6H2,1-4H3.
What are the key properties of 2-(difluoromethoxy)-5-methoxy-N-(5-methylhexan-2-yl)aniline?
2-(difluoromethoxy)-5-methoxy-N-(5-methylhexan-2-yl)aniline has a molecular weight of 287.35 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-methoxy-N-(5-methylhexan-2-yl)aniline is sourced from PubChem (CID 43699612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).