1-N-(3-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine

C15H23FN2O — CID 107259325

IUPAC1-N-(3-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine
SMILESCCC1CCCC(Nc2cc(OC)c(N)cc2F)C1
InChIInChI=1S/C15H23FN2O/c1-3-10-5-4-6-11(7-10)18-14-9-15(19-2)13(17)8-12(14)16/h8-11,18H,3-7,17H2,1-2H3
InChIKeyJULZKPWSVPDXDB-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.80
Rot. Bonds4

About 1-N-(3-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine

1-N-(3-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine (PubChem CID 107259325) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-N-(3-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(3-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine
PubChem CID107259325
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-N-(3-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine
SMILESCCC1CCCC(Nc2cc(OC)c(N)cc2F)C1
InChIInChI=1S/C15H23FN2O/c1-3-10-5-4-6-11(7-10)18-14-9-15(19-2)13(17)8-12(14)16/h8-11,18H,3-7,17H2,1-2H3
InChIKeyJULZKPWSVPDXDB-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)-4-fluoro-5-propoxybenzene-1,2-diamine
CID 64748812
1-N-(3-ethylcyclohexyl)-2-fluorobenzene-1,4-diamine
CID 64749014
2-fluoro-5-methoxy-1-N-(1-methylpiperidin-3-yl)benzene-1,4-diamine
CID 107258883
1-N-(3-ethylcyclohexyl)-3,5-difluorobenzene-1,2-diamine
CID 115507062
1-N-(2-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258944
4-bromo-2-N-(3-ethylcyclohexyl)benzene-1,2-diamine
CID 65342365
3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64741608
1-N-(2,6-dimethylpiperidin-1-yl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259506
4-fluoro-5-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine
CID 114543148
5-chloro-1-N-(3-ethylcyclohexyl)-6-fluorobenzene-1,2,4-triamine
CID 103553200
8-N-(3-ethylcyclohexyl)-7-fluoroquinoline-5,8-diamine
CID 83166347
4-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol
CID 106120262

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine?
The IUPAC name of 1-N-(3-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine (CID 107259325) is 1-N-(3-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine.
What is the SMILES notation for 1-N-(3-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine?
The canonical SMILES for 1-N-(3-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine is CCC1CCCC(Nc2cc(OC)c(N)cc2F)C1.
What is the InChIKey of 1-N-(3-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine?
The InChIKey is JULZKPWSVPDXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-10-5-4-6-11(7-10)18-14-9-15(19-2)13(17)8-12(14)16/h8-11,18H,3-7,17H2,1-2H3.
What are the key properties of 1-N-(3-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine?
1-N-(3-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-(3-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine is sourced from PubChem (CID 107259325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).