4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-methylaniline

C16H25BrN2 — CID 3043343

IUPAC4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-methylaniline
SMILESCCN(Cc1cc(Br)cc(C)c1N)C1CCCCC1
InChIInChI=1S/C16H25BrN2/c1-3-19(15-7-5-4-6-8-15)11-13-10-14(17)9-12(2)16(13)18/h9-10,15H,3-8,11,18H2,1-2H3
InChIKeyNQVZVBWRXSYQOH-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.49
Rot. Bonds4

About 4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-methylaniline

4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-methylaniline (PubChem CID 3043343) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-methylaniline.

Molecular Properties

Compound Name4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-methylaniline
PubChem CID3043343
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-methylaniline
SMILESCCN(Cc1cc(Br)cc(C)c1N)C1CCCCC1
InChIInChI=1S/C16H25BrN2/c1-3-19(15-7-5-4-6-8-15)11-13-10-14(17)9-12(2)16(13)18/h9-10,15H,3-8,11,18H2,1-2H3
InChIKeyNQVZVBWRXSYQOH-UHFFFAOYSA-N
XLogP4.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-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 4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-methylaniline?
The IUPAC name of 4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-methylaniline (CID 3043343) is 4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-methylaniline.
What is the SMILES notation for 4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-methylaniline?
The canonical SMILES for 4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-methylaniline is CCN(Cc1cc(Br)cc(C)c1N)C1CCCCC1.
What is the InChIKey of 4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-methylaniline?
The InChIKey is NQVZVBWRXSYQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-3-19(15-7-5-4-6-8-15)11-13-10-14(17)9-12(2)16(13)18/h9-10,15H,3-8,11,18H2,1-2H3.
What are the key properties of 4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-methylaniline?
4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-methylaniline has a molecular weight of 325.29 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-methylaniline is sourced from PubChem (CID 3043343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).