2-bromo-3-cyclohexyloxy-4-methylaniline

C13H18BrNO — CID 175054907

IUPAC2-bromo-3-cyclohexyloxy-4-methylaniline
SMILESCc1ccc(N)c(Br)c1OC1CCCCC1
InChIInChI=1S/C13H18BrNO/c1-9-7-8-11(15)12(14)13(9)16-10-5-3-2-4-6-10/h7-8,10H,2-6,15H2,1H3
InChIKeySHIURXADDGUIAE-UHFFFAOYSA-N
MW284.20 g/mol
LogP4.05
Rot. Bonds2

About 2-bromo-3-cyclohexyloxy-4-methylaniline

2-bromo-3-cyclohexyloxy-4-methylaniline (PubChem CID 175054907) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-bromo-3-cyclohexyloxy-4-methylaniline.

Molecular Properties

Compound Name2-bromo-3-cyclohexyloxy-4-methylaniline
PubChem CID175054907
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-bromo-3-cyclohexyloxy-4-methylaniline
SMILESCc1ccc(N)c(Br)c1OC1CCCCC1
InChIInChI=1S/C13H18BrNO/c1-9-7-8-11(15)12(14)13(9)16-10-5-3-2-4-6-10/h7-8,10H,2-6,15H2,1H3
InChIKeySHIURXADDGUIAE-UHFFFAOYSA-N
XLogP4.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-cyclohexyloxy-4-methylaniline?
The IUPAC name of 2-bromo-3-cyclohexyloxy-4-methylaniline (CID 175054907) is 2-bromo-3-cyclohexyloxy-4-methylaniline.
What is the SMILES notation for 2-bromo-3-cyclohexyloxy-4-methylaniline?
The canonical SMILES for 2-bromo-3-cyclohexyloxy-4-methylaniline is Cc1ccc(N)c(Br)c1OC1CCCCC1.
What is the InChIKey of 2-bromo-3-cyclohexyloxy-4-methylaniline?
The InChIKey is SHIURXADDGUIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9-7-8-11(15)12(14)13(9)16-10-5-3-2-4-6-10/h7-8,10H,2-6,15H2,1H3.
What are the key properties of 2-bromo-3-cyclohexyloxy-4-methylaniline?
2-bromo-3-cyclohexyloxy-4-methylaniline has a molecular weight of 284.20 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-cyclohexyloxy-4-methylaniline is sourced from PubChem (CID 175054907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).