3-bromo-N-cyclohexyl-5-methoxyaniline

C13H18BrNO — CID 82857692

IUPAC3-bromo-N-cyclohexyl-5-methoxyaniline
SMILESCOc1cc(Br)cc(NC2CCCCC2)c1
InChIInChI=1S/C13H18BrNO/c1-16-13-8-10(14)7-12(9-13)15-11-5-3-2-4-6-11/h7-9,11,15H,2-6H2,1H3
InChIKeyBSNMSEVHQRAYSX-UHFFFAOYSA-N
MW284.20 g/mol
LogP4.20
Rot. Bonds3

About 3-bromo-N-cyclohexyl-5-methoxyaniline

3-bromo-N-cyclohexyl-5-methoxyaniline (PubChem CID 82857692) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 3-bromo-N-cyclohexyl-5-methoxyaniline.

Molecular Properties

Compound Name3-bromo-N-cyclohexyl-5-methoxyaniline
PubChem CID82857692
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name3-bromo-N-cyclohexyl-5-methoxyaniline
SMILESCOc1cc(Br)cc(NC2CCCCC2)c1
InChIInChI=1S/C13H18BrNO/c1-16-13-8-10(14)7-12(9-13)15-11-5-3-2-4-6-11/h7-9,11,15H,2-6H2,1H3
InChIKeyBSNMSEVHQRAYSX-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclohexyl-5-methoxyaniline?
The IUPAC name of 3-bromo-N-cyclohexyl-5-methoxyaniline (CID 82857692) is 3-bromo-N-cyclohexyl-5-methoxyaniline.
What is the SMILES notation for 3-bromo-N-cyclohexyl-5-methoxyaniline?
The canonical SMILES for 3-bromo-N-cyclohexyl-5-methoxyaniline is COc1cc(Br)cc(NC2CCCCC2)c1.
What is the InChIKey of 3-bromo-N-cyclohexyl-5-methoxyaniline?
The InChIKey is BSNMSEVHQRAYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-16-13-8-10(14)7-12(9-13)15-11-5-3-2-4-6-11/h7-9,11,15H,2-6H2,1H3.
What are the key properties of 3-bromo-N-cyclohexyl-5-methoxyaniline?
3-bromo-N-cyclohexyl-5-methoxyaniline has a molecular weight of 284.20 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclohexyl-5-methoxyaniline is sourced from PubChem (CID 82857692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).