2-(3-bromo-5-fluorophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine

C15H21BrFNO2 — CID 116764652

IUPAC2-(3-bromo-5-fluorophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(Br)c1)C1(OC)CCOCC1
InChIInChI=1S/C15H21BrFNO2/c1-18-14(15(19-2)3-5-20-6-4-15)9-11-7-12(16)10-13(17)8-11/h7-8,10,14,18H,3-6,9H2,1-2H3
InChIKeyCODGXPZDQRCRPT-UHFFFAOYSA-N
MW346.24 g/mol
LogP2.91
Rot. Bonds5

About 2-(3-bromo-5-fluorophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine

2-(3-bromo-5-fluorophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine (PubChem CID 116764652) has the molecular formula C15H21BrFNO2 and a molecular weight of 346.24 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
PubChem CID116764652
Molecular FormulaC15H21BrFNO2
Molecular Weight346.24 g/mol
Exact Mass345.07
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(Br)c1)C1(OC)CCOCC1
InChIInChI=1S/C15H21BrFNO2/c1-18-14(15(19-2)3-5-20-6-4-15)9-11-7-12(16)10-13(17)8-11/h7-8,10,14,18H,3-6,9H2,1-2H3
InChIKeyCODGXPZDQRCRPT-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770078
2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764666
2-(3,5-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764669
2-(3-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765623
2-(4-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765716
2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770088
N-[2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine
CID 116765144
2-(2,6-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764722
[2-(3,5-difluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine
CID 105413024
[4-[(3-bromo-5-fluorophenyl)methylamino]oxan-4-yl]methanol
CID 113249833
2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanamine
CID 116763561
N-[[4-[(3-bromo-5-fluorophenyl)methyl]oxan-4-yl]methyl]ethanamine
CID 79709588

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine (CID 116764652) is 2-(3-bromo-5-fluorophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine is CNC(Cc1cc(F)cc(Br)c1)C1(OC)CCOCC1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine?
The InChIKey is CODGXPZDQRCRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO2/c1-18-14(15(19-2)3-5-20-6-4-15)9-11-7-12(16)10-13(17)8-11/h7-8,10,14,18H,3-6,9H2,1-2H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine?
2-(3-bromo-5-fluorophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine has a molecular weight of 346.24 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine is sourced from PubChem (CID 116764652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).