3-bromo-N-(2-ethylcyclohexyl)-5-methoxyaniline

C15H22BrNO — CID 82857766

IUPAC3-bromo-N-(2-ethylcyclohexyl)-5-methoxyaniline
SMILESCCC1CCCCC1Nc1cc(Br)cc(OC)c1
InChIInChI=1S/C15H22BrNO/c1-3-11-6-4-5-7-15(11)17-13-8-12(16)9-14(10-13)18-2/h8-11,15,17H,3-7H2,1-2H3
InChIKeySPXHCYAURLEZRD-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.84
Rot. Bonds4

About 3-bromo-N-(2-ethylcyclohexyl)-5-methoxyaniline

3-bromo-N-(2-ethylcyclohexyl)-5-methoxyaniline (PubChem CID 82857766) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 3-bromo-N-(2-ethylcyclohexyl)-5-methoxyaniline.

Molecular Properties

Compound Name3-bromo-N-(2-ethylcyclohexyl)-5-methoxyaniline
PubChem CID82857766
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name3-bromo-N-(2-ethylcyclohexyl)-5-methoxyaniline
SMILESCCC1CCCCC1Nc1cc(Br)cc(OC)c1
InChIInChI=1S/C15H22BrNO/c1-3-11-6-4-5-7-15(11)17-13-8-12(16)9-14(10-13)18-2/h8-11,15,17H,3-7H2,1-2H3
InChIKeySPXHCYAURLEZRD-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-ethylcyclohexyl)-5-methoxyaniline?
The IUPAC name of 3-bromo-N-(2-ethylcyclohexyl)-5-methoxyaniline (CID 82857766) is 3-bromo-N-(2-ethylcyclohexyl)-5-methoxyaniline.
What is the SMILES notation for 3-bromo-N-(2-ethylcyclohexyl)-5-methoxyaniline?
The canonical SMILES for 3-bromo-N-(2-ethylcyclohexyl)-5-methoxyaniline is CCC1CCCCC1Nc1cc(Br)cc(OC)c1.
What is the InChIKey of 3-bromo-N-(2-ethylcyclohexyl)-5-methoxyaniline?
The InChIKey is SPXHCYAURLEZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-3-11-6-4-5-7-15(11)17-13-8-12(16)9-14(10-13)18-2/h8-11,15,17H,3-7H2,1-2H3.
What are the key properties of 3-bromo-N-(2-ethylcyclohexyl)-5-methoxyaniline?
3-bromo-N-(2-ethylcyclohexyl)-5-methoxyaniline has a molecular weight of 312.25 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-ethylcyclohexyl)-5-methoxyaniline is sourced from PubChem (CID 82857766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).