2-(2-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine

C16H23BrFNO — CID 116762866

IUPAC2-(2-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1Br)C1(OC)CCCCC1
InChIInChI=1S/C16H23BrFNO/c1-19-15(16(20-2)8-4-3-5-9-16)10-12-6-7-13(18)11-14(12)17/h6-7,11,15,19H,3-5,8-10H2,1-2H3
InChIKeyUZLQHJGZGMSOOZ-UHFFFAOYSA-N
MW344.27 g/mol
LogP4.07
Rot. Bonds5

About 2-(2-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine

2-(2-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine (PubChem CID 116762866) has the molecular formula C16H23BrFNO and a molecular weight of 344.27 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
PubChem CID116762866
Molecular FormulaC16H23BrFNO
Molecular Weight344.27 g/mol
Exact Mass343.09
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1Br)C1(OC)CCCCC1
InChIInChI=1S/C16H23BrFNO/c1-19-15(16(20-2)8-4-3-5-9-16)10-12-6-7-13(18)11-14(12)17/h6-7,11,15,19H,3-5,8-10H2,1-2H3
InChIKeyUZLQHJGZGMSOOZ-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 105374348
2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714359
2-(2-bromo-3-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116762886
[2-(2-bromo-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethyl]hydrazine
CID 105276277
2-(3-bromo-5-fluorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770078
1-(1-ethoxycyclohexyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 114348398
1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 116762893
2-(2,4-dichlorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770042
[2-(2-chloro-4-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
CID 105278127
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 116763206
2-(2,5-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770210
2-(2-fluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714161

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine (CID 116762866) is 2-(2-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine is CNC(Cc1ccc(F)cc1Br)C1(OC)CCCCC1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine?
The InChIKey is UZLQHJGZGMSOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFNO/c1-19-15(16(20-2)8-4-3-5-9-16)10-12-6-7-13(18)11-14(12)17/h6-7,11,15,19H,3-5,8-10H2,1-2H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine?
2-(2-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine has a molecular weight of 344.27 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine is sourced from PubChem (CID 116762866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).