1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine

C15H20BrF2N — CID 106942370

IUPAC1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
SMILESCNC(c1c(F)ccc(Br)c1F)C1CCC(C)CC1
InChIInChI=1S/C15H20BrF2N/c1-9-3-5-10(6-4-9)15(19-2)13-12(17)8-7-11(16)14(13)18/h7-10,15,19H,3-6H2,1-2H3
InChIKeyHQQUWKHBLSOWCP-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.81
Rot. Bonds3

About 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine

1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine (PubChem CID 106942370) has the molecular formula C15H20BrF2N and a molecular weight of 332.23 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
PubChem CID106942370
Molecular FormulaC15H20BrF2N
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
SMILESCNC(c1c(F)ccc(Br)c1F)C1CCC(C)CC1
InChIInChI=1S/C15H20BrF2N/c1-9-3-5-10(6-4-9)15(19-2)13-12(17)8-7-11(16)14(13)18/h7-10,15,19H,3-6H2,1-2H3
InChIKeyHQQUWKHBLSOWCP-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromo-2,6-difluorophenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 106942372
[(3-bromo-2,6-difluorophenyl)-cyclopropylmethyl]hydrazine
CID 106945257
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 63415562
1-(3-bromo-2,6-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107191863
1-(3-bromo-2,6-difluorophenyl)-2-cyclobutyl-N-methylethanamine
CID 106944871
1-(3-bromo-2,6-difluorophenyl)-2-cyclopropylethane-1,2-diol
CID 106942151
1-(4-chlorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 55185676
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 104988173
1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 106942771
N-[(3-bromo-2,6-difluorophenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191861
N-[(3-bromo-2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 106942650
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 104988080

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine (CID 106942370) is 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine is CNC(c1c(F)ccc(Br)c1F)C1CCC(C)CC1.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine?
The InChIKey is HQQUWKHBLSOWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2N/c1-9-3-5-10(6-4-9)15(19-2)13-12(17)8-7-11(16)14(13)18/h7-10,15,19H,3-6H2,1-2H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine?
1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine has a molecular weight of 332.23 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 106942370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).