4-(bromomethyl)-2,6-difluoro-N-methyl-N-(4-methylcyclohexyl)aniline

C15H20BrF2N — CID 107081296

IUPAC4-(bromomethyl)-2,6-difluoro-N-methyl-N-(4-methylcyclohexyl)aniline
SMILESCC1CCC(N(C)c2c(F)cc(CBr)cc2F)CC1
InChIInChI=1S/C15H20BrF2N/c1-10-3-5-12(6-4-10)19(2)15-13(17)7-11(9-16)8-14(15)18/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeySGQZXUGDCZRXCR-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.87
Rot. Bonds3

About 4-(bromomethyl)-2,6-difluoro-N-methyl-N-(4-methylcyclohexyl)aniline

4-(bromomethyl)-2,6-difluoro-N-methyl-N-(4-methylcyclohexyl)aniline (PubChem CID 107081296) has the molecular formula C15H20BrF2N and a molecular weight of 332.23 g/mol. Its IUPAC name is 4-(bromomethyl)-2,6-difluoro-N-methyl-N-(4-methylcyclohexyl)aniline.

Molecular Properties

Compound Name4-(bromomethyl)-2,6-difluoro-N-methyl-N-(4-methylcyclohexyl)aniline
PubChem CID107081296
Molecular FormulaC15H20BrF2N
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name4-(bromomethyl)-2,6-difluoro-N-methyl-N-(4-methylcyclohexyl)aniline
SMILESCC1CCC(N(C)c2c(F)cc(CBr)cc2F)CC1
InChIInChI=1S/C15H20BrF2N/c1-10-3-5-12(6-4-10)19(2)15-13(17)7-11(9-16)8-14(15)18/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeySGQZXUGDCZRXCR-UHFFFAOYSA-N
XLogP4.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-2,6-difluoro-N-methyl-N-(4-methylcyclohexyl)aniline with MolForge

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

Launch Full Analysis

Related Compounds

4-(bromomethyl)-N-cyclopentyl-2,6-difluoro-N-methylaniline
CID 107079915
4-(bromomethyl)-N-methyl-N-(4-methylcyclohexyl)aniline
CID 107081309
4-(bromomethyl)-N-cyclopropyl-2-fluoro-N-methylaniline
CID 107079857
N-[4-(chloromethyl)-2,6-difluorophenyl]-N-methylcycloheptanamine
CID 63540066
4-(bromomethyl)-N-(cyclohexylmethyl)-2,6-difluoro-N-methylaniline
CID 107081456
4-(bromomethyl)-N-(4-ethylcyclohexyl)-2-fluoro-N-methylaniline
CID 107081550
N-cyclopentyl-4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylaniline
CID 63052431
N-[4-(2-aminopropyl)-2,6-difluorophenyl]-N-methylcycloheptanamine
CID 63785833
1-[4-(bromomethyl)-2,6-difluorophenyl]-4-methylazepane
CID 107083576
4-(bromomethyl)-N-(2,2-dimethylpropyl)-2,6-difluoro-N-methylaniline
CID 107082377
1-[4-(bromomethyl)-2-fluorophenyl]-N,N-dimethylpiperidin-4-amine
CID 107080540
1-[1-[4-(bromomethyl)-2,6-difluorophenyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 107081713

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2,6-difluoro-N-methyl-N-(4-methylcyclohexyl)aniline?
The IUPAC name of 4-(bromomethyl)-2,6-difluoro-N-methyl-N-(4-methylcyclohexyl)aniline (CID 107081296) is 4-(bromomethyl)-2,6-difluoro-N-methyl-N-(4-methylcyclohexyl)aniline.
What is the SMILES notation for 4-(bromomethyl)-2,6-difluoro-N-methyl-N-(4-methylcyclohexyl)aniline?
The canonical SMILES for 4-(bromomethyl)-2,6-difluoro-N-methyl-N-(4-methylcyclohexyl)aniline is CC1CCC(N(C)c2c(F)cc(CBr)cc2F)CC1.
What is the InChIKey of 4-(bromomethyl)-2,6-difluoro-N-methyl-N-(4-methylcyclohexyl)aniline?
The InChIKey is SGQZXUGDCZRXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2N/c1-10-3-5-12(6-4-10)19(2)15-13(17)7-11(9-16)8-14(15)18/h7-8,10,12H,3-6,9H2,1-2H3.
What are the key properties of 4-(bromomethyl)-2,6-difluoro-N-methyl-N-(4-methylcyclohexyl)aniline?
4-(bromomethyl)-2,6-difluoro-N-methyl-N-(4-methylcyclohexyl)aniline has a molecular weight of 332.23 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2,6-difluoro-N-methyl-N-(4-methylcyclohexyl)aniline is sourced from PubChem (CID 107081296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).