2-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine

C18H27BrFN — CID 65424348

IUPAC2-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
SMILESCCCC1CCC(C(Cc2ccc(F)c(Br)c2)NC)CC1
InChIInChI=1S/C18H27BrFN/c1-3-4-13-5-8-15(9-6-13)18(21-2)12-14-7-10-17(20)16(19)11-14/h7,10-11,13,15,18,21H,3-6,8-9,12H2,1-2H3
InChIKeyXDSPLHQJVJTKFP-UHFFFAOYSA-N
MW356.32 g/mol
LogP5.33
Rot. Bonds6

About 2-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine

2-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine (PubChem CID 65424348) has the molecular formula C18H27BrFN and a molecular weight of 356.32 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
PubChem CID65424348
Molecular FormulaC18H27BrFN
Molecular Weight356.32 g/mol
Exact Mass355.13
IUPAC Name2-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
SMILESCCCC1CCC(C(Cc2ccc(F)c(Br)c2)NC)CC1
InChIInChI=1S/C18H27BrFN/c1-3-4-13-5-8-15(9-6-13)18(21-2)12-14-7-10-17(20)16(19)11-14/h7,10-11,13,15,18,21H,3-6,8-9,12H2,1-2H3
InChIKeyXDSPLHQJVJTKFP-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.32
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-cyclobutyl-N-methylethanamine
CID 64987034
2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine
CID 65390837
2-(4-bromophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65425315
2-(3,4-dichlorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65424347
N-[2-(3-bromo-4-fluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63415531
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-4-fluorophenyl)-N-methylethanamine
CID 115818368
2-(furan-3-yl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 83175553
2-(3-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)ethanol
CID 65395171
2-(3-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
CID 107188023
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 103040140
[2-(4-chlorophenyl)-1-(4-propylcyclohexyl)ethyl]hydrazine
CID 105232365
2-(3-bromo-4-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658598

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine (CID 65424348) is 2-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine is CCCC1CCC(C(Cc2ccc(F)c(Br)c2)NC)CC1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine?
The InChIKey is XDSPLHQJVJTKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrFN/c1-3-4-13-5-8-15(9-6-13)18(21-2)12-14-7-10-17(20)16(19)11-14/h7,10-11,13,15,18,21H,3-6,8-9,12H2,1-2H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine?
2-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine has a molecular weight of 356.32 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine is sourced from PubChem (CID 65424348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).