1-N-(2-ethylhexyl)-2-fluoro-5-methoxybenzene-1,4-diamine

C15H25FN2O — CID 107819905

IUPAC1-N-(2-ethylhexyl)-2-fluoro-5-methoxybenzene-1,4-diamine
SMILESCCCCC(CC)CNc1cc(OC)c(N)cc1F
InChIInChI=1S/C15H25FN2O/c1-4-6-7-11(5-2)10-18-14-9-15(19-3)13(17)8-12(14)16/h8-9,11,18H,4-7,10,17H2,1-3H3
InChIKeyHPAUGUVILZKQIR-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.04
Rot. Bonds8

About 1-N-(2-ethylhexyl)-2-fluoro-5-methoxybenzene-1,4-diamine

1-N-(2-ethylhexyl)-2-fluoro-5-methoxybenzene-1,4-diamine (PubChem CID 107819905) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-N-(2-ethylhexyl)-2-fluoro-5-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-ethylhexyl)-2-fluoro-5-methoxybenzene-1,4-diamine
PubChem CID107819905
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name1-N-(2-ethylhexyl)-2-fluoro-5-methoxybenzene-1,4-diamine
SMILESCCCCC(CC)CNc1cc(OC)c(N)cc1F
InChIInChI=1S/C15H25FN2O/c1-4-6-7-11(5-2)10-18-14-9-15(19-3)13(17)8-12(14)16/h8-9,11,18H,4-7,10,17H2,1-3H3
InChIKeyHPAUGUVILZKQIR-UHFFFAOYSA-N
XLogP4.04
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.04
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

1-N-(2-ethylhexyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 107819798
4-chloro-N-(2-ethylhexyl)-2,5-dimethoxyaniline
CID 63487753
1-N-(2-ethylhexyl)-4-methoxybenzene-1,2-diamine
CID 107819851
4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol
CID 107259327
4-chloro-N-(2-ethylhexyl)-2-fluoroaniline
CID 55197144
N-(2-ethylhexyl)-2,3-difluoroaniline
CID 63490651
4-fluoro-5-methoxy-1-N-(2-methylbutyl)benzene-1,2-diamine
CID 63597325
1-N-tert-butyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258668
2-fluoro-5-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)benzene-1,4-diamine
CID 106290037
4-bromo-1-N-(2-ethylhexyl)benzene-1,2-diamine
CID 107819769
4-bromo-2-N-(2-ethylhexyl)benzene-1,2-diamine
CID 114004564
1-N-[2-[ethyl(methyl)amino]ethyl]-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259174

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethylhexyl)-2-fluoro-5-methoxybenzene-1,4-diamine?
The IUPAC name of 1-N-(2-ethylhexyl)-2-fluoro-5-methoxybenzene-1,4-diamine (CID 107819905) is 1-N-(2-ethylhexyl)-2-fluoro-5-methoxybenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2-ethylhexyl)-2-fluoro-5-methoxybenzene-1,4-diamine?
The canonical SMILES for 1-N-(2-ethylhexyl)-2-fluoro-5-methoxybenzene-1,4-diamine is CCCCC(CC)CNc1cc(OC)c(N)cc1F.
What is the InChIKey of 1-N-(2-ethylhexyl)-2-fluoro-5-methoxybenzene-1,4-diamine?
The InChIKey is HPAUGUVILZKQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-4-6-7-11(5-2)10-18-14-9-15(19-3)13(17)8-12(14)16/h8-9,11,18H,4-7,10,17H2,1-3H3.
What are the key properties of 1-N-(2-ethylhexyl)-2-fluoro-5-methoxybenzene-1,4-diamine?
1-N-(2-ethylhexyl)-2-fluoro-5-methoxybenzene-1,4-diamine has a molecular weight of 268.38 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethylhexyl)-2-fluoro-5-methoxybenzene-1,4-diamine is sourced from PubChem (CID 107819905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).