1-N-(1-cyclopropylethyl)-2-fluoro-5-methoxy-1-N-(2-methoxyethyl)benzene-1,4-diamine

C15H23FN2O2 — CID 107259041

IUPAC1-N-(1-cyclopropylethyl)-2-fluoro-5-methoxy-1-N-(2-methoxyethyl)benzene-1,4-diamine
SMILESCOCCN(c1cc(OC)c(N)cc1F)C(C)C1CC1
InChIInChI=1S/C15H23FN2O2/c1-10(11-4-5-11)18(6-7-19-2)14-9-15(20-3)13(17)8-12(14)16/h8-11H,4-7,17H2,1-3H3
InChIKeyJKGAFQNMYOCRLR-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.67
Rot. Bonds7

About 1-N-(1-cyclopropylethyl)-2-fluoro-5-methoxy-1-N-(2-methoxyethyl)benzene-1,4-diamine

1-N-(1-cyclopropylethyl)-2-fluoro-5-methoxy-1-N-(2-methoxyethyl)benzene-1,4-diamine (PubChem CID 107259041) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-N-(1-cyclopropylethyl)-2-fluoro-5-methoxy-1-N-(2-methoxyethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(1-cyclopropylethyl)-2-fluoro-5-methoxy-1-N-(2-methoxyethyl)benzene-1,4-diamine
PubChem CID107259041
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name1-N-(1-cyclopropylethyl)-2-fluoro-5-methoxy-1-N-(2-methoxyethyl)benzene-1,4-diamine
SMILESCOCCN(c1cc(OC)c(N)cc1F)C(C)C1CC1
InChIInChI=1S/C15H23FN2O2/c1-10(11-4-5-11)18(6-7-19-2)14-9-15(20-3)13(17)8-12(14)16/h8-11H,4-7,17H2,1-3H3
InChIKeyJKGAFQNMYOCRLR-UHFFFAOYSA-N
XLogP2.67
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-fluorobenzonitrile
CID 55002927
1-N-(1-cyclopropylethyl)-1-N-(2-methoxyethyl)-4-methylbenzene-1,2-diamine
CID 55004687
2-(aminomethyl)-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline
CID 55002820
2-fluoro-5-methoxy-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine
CID 107259012
2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline
CID 78935385
2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63368929
1-N-cyclopropyl-2-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,4-diamine
CID 107259031
4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoic acid
CID 82784856
4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzamide
CID 63356402
2-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63815654
4-[1-cyclopropylethyl(2-methoxyethyl)amino]-3,5-difluorobenzenecarbothioamide
CID 81286076
4-fluoro-5-methoxy-1-N,1-N-bis(2-methoxyethyl)benzene-1,2-diamine
CID 63597825

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-cyclopropylethyl)-2-fluoro-5-methoxy-1-N-(2-methoxyethyl)benzene-1,4-diamine?
The IUPAC name of 1-N-(1-cyclopropylethyl)-2-fluoro-5-methoxy-1-N-(2-methoxyethyl)benzene-1,4-diamine (CID 107259041) is 1-N-(1-cyclopropylethyl)-2-fluoro-5-methoxy-1-N-(2-methoxyethyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-(1-cyclopropylethyl)-2-fluoro-5-methoxy-1-N-(2-methoxyethyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-(1-cyclopropylethyl)-2-fluoro-5-methoxy-1-N-(2-methoxyethyl)benzene-1,4-diamine is COCCN(c1cc(OC)c(N)cc1F)C(C)C1CC1.
What is the InChIKey of 1-N-(1-cyclopropylethyl)-2-fluoro-5-methoxy-1-N-(2-methoxyethyl)benzene-1,4-diamine?
The InChIKey is JKGAFQNMYOCRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-10(11-4-5-11)18(6-7-19-2)14-9-15(20-3)13(17)8-12(14)16/h8-11H,4-7,17H2,1-3H3.
What are the key properties of 1-N-(1-cyclopropylethyl)-2-fluoro-5-methoxy-1-N-(2-methoxyethyl)benzene-1,4-diamine?
1-N-(1-cyclopropylethyl)-2-fluoro-5-methoxy-1-N-(2-methoxyethyl)benzene-1,4-diamine has a molecular weight of 282.36 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-cyclopropylethyl)-2-fluoro-5-methoxy-1-N-(2-methoxyethyl)benzene-1,4-diamine is sourced from PubChem (CID 107259041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).