1-N-cyclopropyl-2-(difluoromethyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine

C13H18F2N2O — CID 63735637

IUPAC1-N-cyclopropyl-2-(difluoromethyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine
SMILESCOCCN(c1ccc(N)cc1C(F)F)C1CC1
InChIInChI=1S/C13H18F2N2O/c1-18-7-6-17(10-3-4-10)12-5-2-9(16)8-11(12)13(14)15/h2,5,8,10,13H,3-4,6-7,16H2,1H3
InChIKeyUIAJRIWHCQDCHE-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.82
Rot. Bonds6

About 1-N-cyclopropyl-2-(difluoromethyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine

1-N-cyclopropyl-2-(difluoromethyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine (PubChem CID 63735637) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-(difluoromethyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-(difluoromethyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine
PubChem CID63735637
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-N-cyclopropyl-2-(difluoromethyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine
SMILESCOCCN(c1ccc(N)cc1C(F)F)C1CC1
InChIInChI=1S/C13H18F2N2O/c1-18-7-6-17(10-3-4-10)12-5-2-9(16)8-11(12)13(14)15/h2,5,8,10,13H,3-4,6-7,16H2,1H3
InChIKeyUIAJRIWHCQDCHE-UHFFFAOYSA-N
XLogP2.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-5-(diethylamino)toluene
CID 67364
4-(Morpholin-4-yl)-2-(trifluoromethyl)aniline
CID 822225
2-Methyl-4-(N-ethyl-N-(beta-hydroxyethyl)amino)aniline
CID 75383
Benzenamine, N-ethyl-N-(2-methoxyethyl)-3-methyl-4-nitroso-
CID 113051
N-Ethyl-N-(2-methoxyethyl)-m-toluidine
CID 92532
Benzenamine, N-(2-ethoxyethyl)-N-ethyl-3-methyl-
CID 15375291
(R)-1-(3-Morpholin-4-YL-phenyl)-ethylamine
CID 42551788
(S)-1-(3-morpholinophenyl)ethanamine
CID 42551790
4-(4-Methoxypiperidin-1-yl)-3-(trifluoromethyl)aniline
CID 50989293
3-Methyl-4-morpholinoaniline
CID 10607787
2-((4-Amino-2-(trifluoromethyl)phenyl)amino)ethanol
CID 14473049
4-(4-Methylpiperazin-1-yl)-2-(trifluoromethyl)aniline
CID 16770363

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-(difluoromethyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine?
The IUPAC name of 1-N-cyclopropyl-2-(difluoromethyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine (CID 63735637) is 1-N-cyclopropyl-2-(difluoromethyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-(difluoromethyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-(difluoromethyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine is COCCN(c1ccc(N)cc1C(F)F)C1CC1.
What is the InChIKey of 1-N-cyclopropyl-2-(difluoromethyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine?
The InChIKey is UIAJRIWHCQDCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-18-7-6-17(10-3-4-10)12-5-2-9(16)8-11(12)13(14)15/h2,5,8,10,13H,3-4,6-7,16H2,1H3.
What are the key properties of 1-N-cyclopropyl-2-(difluoromethyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine?
1-N-cyclopropyl-2-(difluoromethyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine has a molecular weight of 256.30 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-(difluoromethyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine is sourced from PubChem (CID 63735637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).