4-bromo-N-(2-methoxycyclohexyl)-2,6-dimethylaniline

C15H22BrNO — CID 63449328

IUPAC4-bromo-N-(2-methoxycyclohexyl)-2,6-dimethylaniline
SMILESCOC1CCCCC1Nc1c(C)cc(Br)cc1C
InChIInChI=1S/C15H22BrNO/c1-10-8-12(16)9-11(2)15(10)17-13-6-4-5-7-14(13)18-3/h8-9,13-14,17H,4-7H2,1-3H3
InChIKeyYNVRIMFOUSBYGC-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.44
Rot. Bonds3

About 4-bromo-N-(2-methoxycyclohexyl)-2,6-dimethylaniline

4-bromo-N-(2-methoxycyclohexyl)-2,6-dimethylaniline (PubChem CID 63449328) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 4-bromo-N-(2-methoxycyclohexyl)-2,6-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-(2-methoxycyclohexyl)-2,6-dimethylaniline
PubChem CID63449328
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name4-bromo-N-(2-methoxycyclohexyl)-2,6-dimethylaniline
SMILESCOC1CCCCC1Nc1c(C)cc(Br)cc1C
InChIInChI=1S/C15H22BrNO/c1-10-8-12(16)9-11(2)15(10)17-13-6-4-5-7-14(13)18-3/h8-9,13-14,17H,4-7H2,1-3H3
InChIKeyYNVRIMFOUSBYGC-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methoxycyclohexyl)-2,6-dimethylaniline?
The IUPAC name of 4-bromo-N-(2-methoxycyclohexyl)-2,6-dimethylaniline (CID 63449328) is 4-bromo-N-(2-methoxycyclohexyl)-2,6-dimethylaniline.
What is the SMILES notation for 4-bromo-N-(2-methoxycyclohexyl)-2,6-dimethylaniline?
The canonical SMILES for 4-bromo-N-(2-methoxycyclohexyl)-2,6-dimethylaniline is COC1CCCCC1Nc1c(C)cc(Br)cc1C.
What is the InChIKey of 4-bromo-N-(2-methoxycyclohexyl)-2,6-dimethylaniline?
The InChIKey is YNVRIMFOUSBYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-10-8-12(16)9-11(2)15(10)17-13-6-4-5-7-14(13)18-3/h8-9,13-14,17H,4-7H2,1-3H3.
What are the key properties of 4-bromo-N-(2-methoxycyclohexyl)-2,6-dimethylaniline?
4-bromo-N-(2-methoxycyclohexyl)-2,6-dimethylaniline has a molecular weight of 312.25 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methoxycyclohexyl)-2,6-dimethylaniline is sourced from PubChem (CID 63449328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).