3-cyclopropyloxy-2,5-difluoro-N-methylaniline

C10H11F2NO — CID 166708869

IUPAC3-cyclopropyloxy-2,5-difluoro-N-methylaniline
SMILESCNc1cc(F)cc(OC2CC2)c1F
InChIInChI=1S/C10H11F2NO/c1-13-8-4-6(11)5-9(10(8)12)14-7-2-3-7/h4-5,7,13H,2-3H2,1H3
InChIKeyPBXXTXRRKJVZNR-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.55
Rot. Bonds3

About 3-cyclopropyloxy-2,5-difluoro-N-methylaniline

3-cyclopropyloxy-2,5-difluoro-N-methylaniline (PubChem CID 166708869) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 3-cyclopropyloxy-2,5-difluoro-N-methylaniline.

Molecular Properties

Compound Name3-cyclopropyloxy-2,5-difluoro-N-methylaniline
PubChem CID166708869
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name3-cyclopropyloxy-2,5-difluoro-N-methylaniline
SMILESCNc1cc(F)cc(OC2CC2)c1F
InChIInChI=1S/C10H11F2NO/c1-13-8-4-6(11)5-9(10(8)12)14-7-2-3-7/h4-5,7,13H,2-3H2,1H3
InChIKeyPBXXTXRRKJVZNR-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyloxy-2,5-difluorobenzonitrile
CID 156825517
3-(2,3,5-trifluorophenoxy)azetidine
CID 134521245
2,5-difluoro-3-N-methylbenzene-1,3-diamine
CID 141091770
2,2,4,4-tetradeuterio-3-(2,3,5-trifluorophenoxy)azetidine
CID 154023691
4-fluoro-2-(4-methoxycyclohexyl)oxy-1-methylbenzene
CID 90140548
2-cyclopentyloxy-N-methylaniline
CID 130903637
1-cyclobutyloxy-2-fluoro-3,5-dimethylbenzene
CID 130057182
3-(5-fluoro-2-methylphenoxy)-N-methylcyclopentan-1-amine
CID 102981045
N-(2,3,5-trifluorophenyl)oxan-4-amine
CID 62810329
2-cyclobutyloxy-1,4-difluorobenzene
CID 130038404
N-(4-ethylcyclohexyl)-2,3,5-trifluoroaniline
CID 55193534
2-cyclohexyloxy-4-fluoro-1-methylbenzene
CID 102990540

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyloxy-2,5-difluoro-N-methylaniline?
The IUPAC name of 3-cyclopropyloxy-2,5-difluoro-N-methylaniline (CID 166708869) is 3-cyclopropyloxy-2,5-difluoro-N-methylaniline.
What is the SMILES notation for 3-cyclopropyloxy-2,5-difluoro-N-methylaniline?
The canonical SMILES for 3-cyclopropyloxy-2,5-difluoro-N-methylaniline is CNc1cc(F)cc(OC2CC2)c1F.
What is the InChIKey of 3-cyclopropyloxy-2,5-difluoro-N-methylaniline?
The InChIKey is PBXXTXRRKJVZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-13-8-4-6(11)5-9(10(8)12)14-7-2-3-7/h4-5,7,13H,2-3H2,1H3.
What are the key properties of 3-cyclopropyloxy-2,5-difluoro-N-methylaniline?
3-cyclopropyloxy-2,5-difluoro-N-methylaniline has a molecular weight of 199.20 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyloxy-2,5-difluoro-N-methylaniline is sourced from PubChem (CID 166708869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).