3-methoxy-1-N-[1-(trifluoromethyl)cyclopropyl]benzene-1,2-diamine

C11H13F3N2O — CID 106217345

IUPAC3-methoxy-1-N-[1-(trifluoromethyl)cyclopropyl]benzene-1,2-diamine
SMILESCOc1cccc(NC2(C(F)(F)F)CC2)c1N
InChIInChI=1S/C11H13F3N2O/c1-17-8-4-2-3-7(9(8)15)16-10(5-6-10)11(12,13)14/h2-4,16H,5-6,15H2,1H3
InChIKeyRRNQCDLGMOITJD-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.78
Rot. Bonds3

About 3-methoxy-1-N-[1-(trifluoromethyl)cyclopropyl]benzene-1,2-diamine

3-methoxy-1-N-[1-(trifluoromethyl)cyclopropyl]benzene-1,2-diamine (PubChem CID 106217345) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 3-methoxy-1-N-[1-(trifluoromethyl)cyclopropyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-1-N-[1-(trifluoromethyl)cyclopropyl]benzene-1,2-diamine
PubChem CID106217345
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name3-methoxy-1-N-[1-(trifluoromethyl)cyclopropyl]benzene-1,2-diamine
SMILESCOc1cccc(NC2(C(F)(F)F)CC2)c1N
InChIInChI=1S/C11H13F3N2O/c1-17-8-4-2-3-7(9(8)15)16-10(5-6-10)11(12,13)14/h2-4,16H,5-6,15H2,1H3
InChIKeyRRNQCDLGMOITJD-UHFFFAOYSA-N
XLogP2.78
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine
CID 106214712
[1-(2-amino-3-methoxyanilino)cyclohexyl]methanol
CID 113392651
1-N-(2-fluorophenyl)-3-methoxybenzene-1,2-diamine
CID 113392493
6-methoxy-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,3-diamine
CID 106217296
3-methoxy-1-N-(3-methylpentan-3-yl)benzene-1,2-diamine
CID 106328150
2,6-dimethoxyaniline;ethane
CID 145233133
2-[(2-amino-3-methoxyanilino)methyl]-2-ethylbutan-1-ol
CID 106251525
3-methoxy-1-N-(2,3,5,6-tetrafluorophenyl)benzene-1,2-diamine
CID 107643367
methanol;3-methoxybenzene-1,2-diamine
CID 174908169
1-N-(4-fluoro-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine
CID 114837261
[3-methoxy-2-(trifluoromethyl)phenyl]hydrazine
CID 130053332
3-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine
CID 114543233

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-N-[1-(trifluoromethyl)cyclopropyl]benzene-1,2-diamine?
The IUPAC name of 3-methoxy-1-N-[1-(trifluoromethyl)cyclopropyl]benzene-1,2-diamine (CID 106217345) is 3-methoxy-1-N-[1-(trifluoromethyl)cyclopropyl]benzene-1,2-diamine.
What is the SMILES notation for 3-methoxy-1-N-[1-(trifluoromethyl)cyclopropyl]benzene-1,2-diamine?
The canonical SMILES for 3-methoxy-1-N-[1-(trifluoromethyl)cyclopropyl]benzene-1,2-diamine is COc1cccc(NC2(C(F)(F)F)CC2)c1N.
What is the InChIKey of 3-methoxy-1-N-[1-(trifluoromethyl)cyclopropyl]benzene-1,2-diamine?
The InChIKey is RRNQCDLGMOITJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-17-8-4-2-3-7(9(8)15)16-10(5-6-10)11(12,13)14/h2-4,16H,5-6,15H2,1H3.
What are the key properties of 3-methoxy-1-N-[1-(trifluoromethyl)cyclopropyl]benzene-1,2-diamine?
3-methoxy-1-N-[1-(trifluoromethyl)cyclopropyl]benzene-1,2-diamine has a molecular weight of 246.23 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-N-[1-(trifluoromethyl)cyclopropyl]benzene-1,2-diamine is sourced from PubChem (CID 106217345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).