(4-bromo-2,6-difluorophenyl)-(3,4-dimethylcyclohexyl)methanamine

C15H20BrF2N — CID 104989591

IUPAC(4-bromo-2,6-difluorophenyl)-(3,4-dimethylcyclohexyl)methanamine
SMILESCC1CCC(C(N)c2c(F)cc(Br)cc2F)CC1C
InChIInChI=1S/C15H20BrF2N/c1-8-3-4-10(5-9(8)2)15(19)14-12(17)6-11(16)7-13(14)18/h6-10,15H,3-5,19H2,1-2H3
InChIKeyRDIDKZFTZFMIMM-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.80
Rot. Bonds2

About (4-bromo-2,6-difluorophenyl)-(3,4-dimethylcyclohexyl)methanamine

(4-bromo-2,6-difluorophenyl)-(3,4-dimethylcyclohexyl)methanamine (PubChem CID 104989591) has the molecular formula C15H20BrF2N and a molecular weight of 332.23 g/mol. Its IUPAC name is (4-bromo-2,6-difluorophenyl)-(3,4-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2,6-difluorophenyl)-(3,4-dimethylcyclohexyl)methanamine
PubChem CID104989591
Molecular FormulaC15H20BrF2N
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name(4-bromo-2,6-difluorophenyl)-(3,4-dimethylcyclohexyl)methanamine
SMILESCC1CCC(C(N)c2c(F)cc(Br)cc2F)CC1C
InChIInChI=1S/C15H20BrF2N/c1-8-3-4-10(5-9(8)2)15(19)14-12(17)6-11(16)7-13(14)18/h6-10,15H,3-5,19H2,1-2H3
InChIKeyRDIDKZFTZFMIMM-UHFFFAOYSA-N
XLogP4.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4-bromo-2,6-difluorophenyl)-(3,4-dimethylcyclohexyl)methanamine 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

(S)-(4-bromo-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 171226288
(4-bromo-2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
CID 104992584
(R)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171206717
(3,4-dimethylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine
CID 104989384
(4-bromophenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 64740034
(4-chloro-3-fluorophenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 114025177
(3,4-dimethylcyclohexyl)-(3,5-dimethylphenyl)methanamine
CID 104989109
(4-bromo-2,6-difluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010389
(S)-(4-chloro-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 171230540
(3,4-dimethylcyclohexyl)-pyrimidin-2-ylmethanamine
CID 64740038
1-(4-bromo-2,6-difluorophenyl)-2-cyclobutylethanamine
CID 115863908
(3,4-dimethylcyclohexyl)-(5-methylfuran-3-yl)methanamine
CID 104989300

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-difluorophenyl)-(3,4-dimethylcyclohexyl)methanamine?
The IUPAC name of (4-bromo-2,6-difluorophenyl)-(3,4-dimethylcyclohexyl)methanamine (CID 104989591) is (4-bromo-2,6-difluorophenyl)-(3,4-dimethylcyclohexyl)methanamine.
What is the SMILES notation for (4-bromo-2,6-difluorophenyl)-(3,4-dimethylcyclohexyl)methanamine?
The canonical SMILES for (4-bromo-2,6-difluorophenyl)-(3,4-dimethylcyclohexyl)methanamine is CC1CCC(C(N)c2c(F)cc(Br)cc2F)CC1C.
What is the InChIKey of (4-bromo-2,6-difluorophenyl)-(3,4-dimethylcyclohexyl)methanamine?
The InChIKey is RDIDKZFTZFMIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2N/c1-8-3-4-10(5-9(8)2)15(19)14-12(17)6-11(16)7-13(14)18/h6-10,15H,3-5,19H2,1-2H3.
What are the key properties of (4-bromo-2,6-difluorophenyl)-(3,4-dimethylcyclohexyl)methanamine?
(4-bromo-2,6-difluorophenyl)-(3,4-dimethylcyclohexyl)methanamine has a molecular weight of 332.23 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-difluorophenyl)-(3,4-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 104989591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).