5-bromo-4-fluoro-N-(3-methoxycyclohexyl)-2-methylaniline

C14H19BrFNO — CID 107591263

IUPAC5-bromo-4-fluoro-N-(3-methoxycyclohexyl)-2-methylaniline
SMILESCOC1CCCC(Nc2cc(Br)c(F)cc2C)C1
InChIInChI=1S/C14H19BrFNO/c1-9-6-13(16)12(15)8-14(9)17-10-4-3-5-11(7-10)18-2/h6,8,10-11,17H,3-5,7H2,1-2H3
InChIKeyIVYJAYXWZBVPHA-UHFFFAOYSA-N
MW316.21 g/mol
LogP4.27
Rot. Bonds3

About 5-bromo-4-fluoro-N-(3-methoxycyclohexyl)-2-methylaniline

5-bromo-4-fluoro-N-(3-methoxycyclohexyl)-2-methylaniline (PubChem CID 107591263) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 5-bromo-4-fluoro-N-(3-methoxycyclohexyl)-2-methylaniline.

Molecular Properties

Compound Name5-bromo-4-fluoro-N-(3-methoxycyclohexyl)-2-methylaniline
PubChem CID107591263
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name5-bromo-4-fluoro-N-(3-methoxycyclohexyl)-2-methylaniline
SMILESCOC1CCCC(Nc2cc(Br)c(F)cc2C)C1
InChIInChI=1S/C14H19BrFNO/c1-9-6-13(16)12(15)8-14(9)17-10-4-3-5-11(7-10)18-2/h6,8,10-11,17H,3-5,7H2,1-2H3
InChIKeyIVYJAYXWZBVPHA-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-4-fluoro-N-(3-methoxycyclohexyl)-2-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-N-(3-methoxycyclohexyl)-2-methylaniline?
The IUPAC name of 5-bromo-4-fluoro-N-(3-methoxycyclohexyl)-2-methylaniline (CID 107591263) is 5-bromo-4-fluoro-N-(3-methoxycyclohexyl)-2-methylaniline.
What is the SMILES notation for 5-bromo-4-fluoro-N-(3-methoxycyclohexyl)-2-methylaniline?
The canonical SMILES for 5-bromo-4-fluoro-N-(3-methoxycyclohexyl)-2-methylaniline is COC1CCCC(Nc2cc(Br)c(F)cc2C)C1.
What is the InChIKey of 5-bromo-4-fluoro-N-(3-methoxycyclohexyl)-2-methylaniline?
The InChIKey is IVYJAYXWZBVPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-9-6-13(16)12(15)8-14(9)17-10-4-3-5-11(7-10)18-2/h6,8,10-11,17H,3-5,7H2,1-2H3.
What are the key properties of 5-bromo-4-fluoro-N-(3-methoxycyclohexyl)-2-methylaniline?
5-bromo-4-fluoro-N-(3-methoxycyclohexyl)-2-methylaniline has a molecular weight of 316.21 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-N-(3-methoxycyclohexyl)-2-methylaniline is sourced from PubChem (CID 107591263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).