2-(difluoromethoxy)-5-methoxy-N-(3-propan-2-ylcyclobutyl)aniline

C15H21F2NO2 — CID 103561268

IUPAC2-(difluoromethoxy)-5-methoxy-N-(3-propan-2-ylcyclobutyl)aniline
SMILESCOc1ccc(OC(F)F)c(NC2CC(C(C)C)C2)c1
InChIInChI=1S/C15H21F2NO2/c1-9(2)10-6-11(7-10)18-13-8-12(19-3)4-5-14(13)20-15(16)17/h4-5,8-11,15,18H,6-7H2,1-3H3
InChIKeyHZIUPQGTEUNRIL-UHFFFAOYSA-N
MW285.33 g/mol
LogP4.14
Rot. Bonds6

About 2-(difluoromethoxy)-5-methoxy-N-(3-propan-2-ylcyclobutyl)aniline

2-(difluoromethoxy)-5-methoxy-N-(3-propan-2-ylcyclobutyl)aniline (PubChem CID 103561268) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-methoxy-N-(3-propan-2-ylcyclobutyl)aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-methoxy-N-(3-propan-2-ylcyclobutyl)aniline
PubChem CID103561268
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name2-(difluoromethoxy)-5-methoxy-N-(3-propan-2-ylcyclobutyl)aniline
SMILESCOc1ccc(OC(F)F)c(NC2CC(C(C)C)C2)c1
InChIInChI=1S/C15H21F2NO2/c1-9(2)10-6-11(7-10)18-13-8-12(19-3)4-5-14(13)20-15(16)17/h4-5,8-11,15,18H,6-7H2,1-3H3
InChIKeyHZIUPQGTEUNRIL-UHFFFAOYSA-N
XLogP4.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[2-(difluoromethoxy)-5-methoxyphenyl]cyclobutane-1,3-diamine
CID 80559714
N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658341
N-[2-(difluoromethoxy)-5-methoxyphenyl]-1,1-dioxothian-3-amine
CID 63909309
N-[2-(difluoromethoxy)-5-methoxyphenyl]-4,4-dimethylthian-3-amine
CID 79954810
2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline
CID 43699541
N-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline
CID 64723792
2-(cyclopropylamino)-N-[2-(difluoromethoxy)-5-methoxyphenyl]acetamide
CID 60841268
2-(difluoromethoxy)-5-methoxy-N-(5-methylhexan-2-yl)aniline
CID 43699612
2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]propanamide
CID 107903735
3,5-dimethoxy-N-(3-propan-2-ylcyclobutyl)aniline
CID 103560756
2-(difluoromethoxy)-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637305
N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-4-carboxamide
CID 43706019

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-methoxy-N-(3-propan-2-ylcyclobutyl)aniline?
The IUPAC name of 2-(difluoromethoxy)-5-methoxy-N-(3-propan-2-ylcyclobutyl)aniline (CID 103561268) is 2-(difluoromethoxy)-5-methoxy-N-(3-propan-2-ylcyclobutyl)aniline.
What is the SMILES notation for 2-(difluoromethoxy)-5-methoxy-N-(3-propan-2-ylcyclobutyl)aniline?
The canonical SMILES for 2-(difluoromethoxy)-5-methoxy-N-(3-propan-2-ylcyclobutyl)aniline is COc1ccc(OC(F)F)c(NC2CC(C(C)C)C2)c1.
What is the InChIKey of 2-(difluoromethoxy)-5-methoxy-N-(3-propan-2-ylcyclobutyl)aniline?
The InChIKey is HZIUPQGTEUNRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-9(2)10-6-11(7-10)18-13-8-12(19-3)4-5-14(13)20-15(16)17/h4-5,8-11,15,18H,6-7H2,1-3H3.
What are the key properties of 2-(difluoromethoxy)-5-methoxy-N-(3-propan-2-ylcyclobutyl)aniline?
2-(difluoromethoxy)-5-methoxy-N-(3-propan-2-ylcyclobutyl)aniline has a molecular weight of 285.33 g/mol, XLogP of 4.14, 6 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-(3-propan-2-ylcyclobutyl)aniline is sourced from PubChem (CID 103561268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).