2-(3-bromo-4-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine

C17H25BrFNO — CID 116763865

IUPAC2-(3-bromo-4-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
SMILESCCOC1(C(Cc2ccc(F)c(Br)c2)NC)CCCCC1
InChIInChI=1S/C17H25BrFNO/c1-3-21-17(9-5-4-6-10-17)16(20-2)12-13-7-8-15(19)14(18)11-13/h7-8,11,16,20H,3-6,9-10,12H2,1-2H3
InChIKeyMJOPIZAYQBVWDU-UHFFFAOYSA-N
MW358.30 g/mol
LogP4.46
Rot. Bonds6

About 2-(3-bromo-4-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine

2-(3-bromo-4-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine (PubChem CID 116763865) has the molecular formula C17H25BrFNO and a molecular weight of 358.30 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
PubChem CID116763865
Molecular FormulaC17H25BrFNO
Molecular Weight358.30 g/mol
Exact Mass357.11
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
SMILESCCOC1(C(Cc2ccc(F)c(Br)c2)NC)CCCCC1
InChIInChI=1S/C17H25BrFNO/c1-3-21-17(9-5-4-6-10-17)16(20-2)12-13-7-8-15(19)14(18)11-13/h7-8,11,16,20H,3-6,9-10,12H2,1-2H3
InChIKeyMJOPIZAYQBVWDU-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
CID 116763856
1-(1-ethoxycycloheptyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 116770809
[2-(3-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine
CID 105275899
2-(3-bromo-4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine
CID 80685504
1-(1-ethoxycyclopentyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 116761943
1-(1-ethoxycyclopentyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 116762035
2-(2-bromophenyl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
CID 116762033
1-(1-ethoxycyclohexyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 114348398
2-(3-bromo-4-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116755187
2-(4-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765716
[2-(4-chlorophenyl)-1-(1-ethoxycycloheptyl)ethyl]hydrazine
CID 105278524
2-(5-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
CID 116761862

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine (CID 116763865) is 2-(3-bromo-4-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine is CCOC1(C(Cc2ccc(F)c(Br)c2)NC)CCCCC1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine?
The InChIKey is MJOPIZAYQBVWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrFNO/c1-3-21-17(9-5-4-6-10-17)16(20-2)12-13-7-8-15(19)14(18)11-13/h7-8,11,16,20H,3-6,9-10,12H2,1-2H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine?
2-(3-bromo-4-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine has a molecular weight of 358.30 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine is sourced from PubChem (CID 116763865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).