1-N-[2-(difluoromethoxy)-5-methoxyphenyl]cyclobutane-1,3-diamine

C12H16F2N2O2 — CID 80559714

IUPAC1-N-[2-(difluoromethoxy)-5-methoxyphenyl]cyclobutane-1,3-diamine
SMILESCOc1ccc(OC(F)F)c(NC2CC(N)C2)c1
InChIInChI=1S/C12H16F2N2O2/c1-17-9-2-3-11(18-12(13)14)10(6-9)16-8-4-7(15)5-8/h2-3,6-8,12,16H,4-5,15H2,1H3
InChIKeyODDZPEPRIKMCTL-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.20
Rot. Bonds5

About 1-N-[2-(difluoromethoxy)-5-methoxyphenyl]cyclobutane-1,3-diamine

1-N-[2-(difluoromethoxy)-5-methoxyphenyl]cyclobutane-1,3-diamine (PubChem CID 80559714) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-N-[2-(difluoromethoxy)-5-methoxyphenyl]cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[2-(difluoromethoxy)-5-methoxyphenyl]cyclobutane-1,3-diamine
PubChem CID80559714
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name1-N-[2-(difluoromethoxy)-5-methoxyphenyl]cyclobutane-1,3-diamine
SMILESCOc1ccc(OC(F)F)c(NC2CC(N)C2)c1
InChIInChI=1S/C12H16F2N2O2/c1-17-9-2-3-11(18-12(13)14)10(6-9)16-8-4-7(15)5-8/h2-3,6-8,12,16H,4-5,15H2,1H3
InChIKeyODDZPEPRIKMCTL-UHFFFAOYSA-N
XLogP2.20
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethoxy)-5-methoxy-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561268
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
1-N-(2-methoxy-5-methylphenyl)cyclobutane-1,3-diamine
CID 80559082
N-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline
CID 64723792
2-(cyclopropylamino)-N-[2-(difluoromethoxy)-5-methoxyphenyl]acetamide
CID 60841268
N-[2-(difluoromethoxy)-5-methoxyphenyl]-4,4-dimethylthian-3-amine
CID 79954810
2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline
CID 43699541
3-(2-fluoro-4-methoxyphenoxy)cyclobutan-1-amine
CID 91800957
2-(difluoromethoxy)-5-methoxy-N-(oxan-3-ylmethyl)aniline
CID 63740019
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 1-N-[2-(difluoromethoxy)-5-methoxyphenyl]cyclobutane-1,3-diamine?
The IUPAC name of 1-N-[2-(difluoromethoxy)-5-methoxyphenyl]cyclobutane-1,3-diamine (CID 80559714) is 1-N-[2-(difluoromethoxy)-5-methoxyphenyl]cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-[2-(difluoromethoxy)-5-methoxyphenyl]cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-[2-(difluoromethoxy)-5-methoxyphenyl]cyclobutane-1,3-diamine is COc1ccc(OC(F)F)c(NC2CC(N)C2)c1.
What is the InChIKey of 1-N-[2-(difluoromethoxy)-5-methoxyphenyl]cyclobutane-1,3-diamine?
The InChIKey is ODDZPEPRIKMCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-17-9-2-3-11(18-12(13)14)10(6-9)16-8-4-7(15)5-8/h2-3,6-8,12,16H,4-5,15H2,1H3.
What are the key properties of 1-N-[2-(difluoromethoxy)-5-methoxyphenyl]cyclobutane-1,3-diamine?
1-N-[2-(difluoromethoxy)-5-methoxyphenyl]cyclobutane-1,3-diamine has a molecular weight of 258.27 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(difluoromethoxy)-5-methoxyphenyl]cyclobutane-1,3-diamine is sourced from PubChem (CID 80559714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).