4-[[2-(trifluoromethyl)phenyl]methoxy]benzene-1,2-diamine

C14H13F3N2O — CID 69306733

IUPAC4-[[2-(trifluoromethyl)phenyl]methoxy]benzene-1,2-diamine
SMILESNc1ccc(OCc2ccccc2C(F)(F)F)cc1N
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)11-4-2-1-3-9(11)8-20-10-5-6-12(18)13(19)7-10/h1-7H,8,18-19H2
InChIKeyGJUWIIBYCULANB-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.45
Rot. Bonds3

About 4-[[2-(trifluoromethyl)phenyl]methoxy]benzene-1,2-diamine

4-[[2-(trifluoromethyl)phenyl]methoxy]benzene-1,2-diamine (PubChem CID 69306733) has the molecular formula C14H13F3N2O and a molecular weight of 282.27 g/mol. Its IUPAC name is 4-[[2-(trifluoromethyl)phenyl]methoxy]benzene-1,2-diamine.

Molecular Properties

Compound Name4-[[2-(trifluoromethyl)phenyl]methoxy]benzene-1,2-diamine
PubChem CID69306733
Molecular FormulaC14H13F3N2O
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name4-[[2-(trifluoromethyl)phenyl]methoxy]benzene-1,2-diamine
SMILESNc1ccc(OCc2ccccc2C(F)(F)F)cc1N
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)11-4-2-1-3-9(11)8-20-10-5-6-12(18)13(19)7-10/h1-7H,8,18-19H2
InChIKeyGJUWIIBYCULANB-UHFFFAOYSA-N
XLogP3.45
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.45
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-[[2-(trifluoromethyl)phenyl]methoxy]phenyl] carbamate
CID 175149197
3-[[2-(trifluoromethyl)phenyl]methoxy]benzonitrile
CID 150029896
3-[[2-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 141490494
3-nitro-7-[[2-(trifluoromethyl)phenyl]methoxy]quinoline
CID 21469327
4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline
CID 43443841
O-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride
CID 18525982
ethyl 2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetate
CID 11974616
1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-one
CID 112808160
1-[2-nitro-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]ethanone
CID 91863293
ethyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate
CID 30011094
6-[[2-(trifluoromethyl)phenyl]methoxy]-1,3-benzothiazole-2-carbonitrile
CID 58797707
2-amino-2-(hydroxymethyl)-N-methyl-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]propanamide
CID 22421221

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(trifluoromethyl)phenyl]methoxy]benzene-1,2-diamine?
The IUPAC name of 4-[[2-(trifluoromethyl)phenyl]methoxy]benzene-1,2-diamine (CID 69306733) is 4-[[2-(trifluoromethyl)phenyl]methoxy]benzene-1,2-diamine.
What is the SMILES notation for 4-[[2-(trifluoromethyl)phenyl]methoxy]benzene-1,2-diamine?
The canonical SMILES for 4-[[2-(trifluoromethyl)phenyl]methoxy]benzene-1,2-diamine is Nc1ccc(OCc2ccccc2C(F)(F)F)cc1N.
What is the InChIKey of 4-[[2-(trifluoromethyl)phenyl]methoxy]benzene-1,2-diamine?
The InChIKey is GJUWIIBYCULANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c15-14(16,17)11-4-2-1-3-9(11)8-20-10-5-6-12(18)13(19)7-10/h1-7H,8,18-19H2.
What are the key properties of 4-[[2-(trifluoromethyl)phenyl]methoxy]benzene-1,2-diamine?
4-[[2-(trifluoromethyl)phenyl]methoxy]benzene-1,2-diamine has a molecular weight of 282.27 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(trifluoromethyl)phenyl]methoxy]benzene-1,2-diamine is sourced from PubChem (CID 69306733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).