1-(2-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine

C16H23BrFN — CID 104991067

IUPAC1-(2-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCC(C(NC)c2ccc(F)cc2Br)CC1
InChIInChI=1S/C16H23BrFN/c1-3-11-4-6-12(7-5-11)16(19-2)14-9-8-13(18)10-15(14)17/h8-12,16,19H,3-7H2,1-2H3
InChIKeyWQWFRJZKSWBUBQ-UHFFFAOYSA-N
MW328.27 g/mol
LogP5.07
Rot. Bonds4

About 1-(2-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine

1-(2-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine (PubChem CID 104991067) has the molecular formula C16H23BrFN and a molecular weight of 328.27 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
PubChem CID104991067
Molecular FormulaC16H23BrFN
Molecular Weight328.27 g/mol
Exact Mass327.10
IUPAC Name1-(2-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCC(C(NC)c2ccc(F)cc2Br)CC1
InChIInChI=1S/C16H23BrFN/c1-3-11-4-6-12(7-5-11)16(19-2)14-9-8-13(18)10-15(14)17/h8-12,16,19H,3-7H2,1-2H3
InChIKeyWQWFRJZKSWBUBQ-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.27
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 105027896
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 65422994
[(2-bromo-4-fluorophenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105311807
1-(3-ethylcyclohexyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 65415754
1-(3-bromofuran-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65393949
2-bromo-N-(4-ethylcyclohexyl)-4-fluoroaniline
CID 28939093
4-[(2,4-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol
CID 116957014
1-(5-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104990914
1-(3-ethylcyclopentyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 65409640
1-(3-ethylcyclopentyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 65411018
1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine
CID 115847237
1-(2-bromo-4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 107991787

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine (CID 104991067) is 1-(2-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine is CCC1CCC(C(NC)c2ccc(F)cc2Br)CC1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The InChIKey is WQWFRJZKSWBUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFN/c1-3-11-4-6-12(7-5-11)16(19-2)14-9-8-13(18)10-15(14)17/h8-12,16,19H,3-7H2,1-2H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
1-(2-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine has a molecular weight of 328.27 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 104991067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).