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

C15H23FN2O — CID 107258944

IUPAC1-N-(2-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine
SMILESCCC1CCCCC1Nc1cc(OC)c(N)cc1F
InChIInChI=1S/C15H23FN2O/c1-3-10-6-4-5-7-13(10)18-14-9-15(19-2)12(17)8-11(14)16/h8-10,13,18H,3-7,17H2,1-2H3
InChIKeyANFFZJPEFVQJMX-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.80
Rot. Bonds4

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

1-N-(2-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine (PubChem CID 107258944) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-N-(2-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine
PubChem CID107258944
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-N-(2-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine
SMILESCCC1CCCCC1Nc1cc(OC)c(N)cc1F
InChIInChI=1S/C15H23FN2O/c1-3-10-6-4-5-7-13(10)18-14-9-15(19-2)12(17)8-11(14)16/h8-10,13,18H,3-7,17H2,1-2H3
InChIKeyANFFZJPEFVQJMX-UHFFFAOYSA-N
XLogP3.80
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.80
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-(3-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259325
1-N-(2,3-dimethylcyclopentyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259328
1-N-(2-ethylcyclohexyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 63402504
N-(2-ethylcyclohexyl)-2,3,5,6-tetrafluoroaniline
CID 107643882
N-(2-ethylcyclohexyl)-4-methoxy-2-methylaniline
CID 63862489
1-N-(2,6-dimethylpiperidin-1-yl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259506
2-fluoro-5-methoxy-1-N-(1-methylpiperidin-3-yl)benzene-1,4-diamine
CID 107258883
4-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol
CID 106120262
N-(2-ethylcyclopentyl)-4-methoxy-3-methylaniline
CID 113483426
trans-(1R,2R)-2-N-(2-fluoro-5-methoxy-4-nitrophenyl)cyclohexane-1,2-diamine
CID 107260556
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259258
4-ethoxy-2-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine
CID 64920927

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine?
The IUPAC name of 1-N-(2-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine (CID 107258944) is 1-N-(2-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine?
The canonical SMILES for 1-N-(2-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine is CCC1CCCCC1Nc1cc(OC)c(N)cc1F.
What is the InChIKey of 1-N-(2-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine?
The InChIKey is ANFFZJPEFVQJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-10-6-4-5-7-13(10)18-14-9-15(19-2)12(17)8-11(14)16/h8-10,13,18H,3-7,17H2,1-2H3.
What are the key properties of 1-N-(2-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine?
1-N-(2-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine has a molecular weight of 266.36 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine is sourced from PubChem (CID 107258944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).