1-(2-bromo-4-fluorophenyl)-3-ethyl-3-methoxy-N-methylpentan-2-amine

C15H23BrFNO — CID 116760800

IUPAC1-(2-bromo-4-fluorophenyl)-3-ethyl-3-methoxy-N-methylpentan-2-amine
SMILESCCC(CC)(OC)C(Cc1ccc(F)cc1Br)NC
InChIInChI=1S/C15H23BrFNO/c1-5-15(6-2,19-4)14(18-3)9-11-7-8-12(17)10-13(11)16/h7-8,10,14,18H,5-6,9H2,1-4H3
InChIKeyDVNRMMVNYYTRBK-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.92
Rot. Bonds7

About 1-(2-bromo-4-fluorophenyl)-3-ethyl-3-methoxy-N-methylpentan-2-amine

1-(2-bromo-4-fluorophenyl)-3-ethyl-3-methoxy-N-methylpentan-2-amine (PubChem CID 116760800) has the molecular formula C15H23BrFNO and a molecular weight of 332.26 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-3-ethyl-3-methoxy-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-3-ethyl-3-methoxy-N-methylpentan-2-amine
PubChem CID116760800
Molecular FormulaC15H23BrFNO
Molecular Weight332.26 g/mol
Exact Mass331.09
IUPAC Name1-(2-bromo-4-fluorophenyl)-3-ethyl-3-methoxy-N-methylpentan-2-amine
SMILESCCC(CC)(OC)C(Cc1ccc(F)cc1Br)NC
InChIInChI=1S/C15H23BrFNO/c1-5-15(6-2,19-4)14(18-3)9-11-7-8-12(17)10-13(11)16/h7-8,10,14,18H,5-6,9H2,1-4H3
InChIKeyDVNRMMVNYYTRBK-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-3-ethyl-3-methoxy-N-methylpentan-2-amine
CID 116760754
[1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105202997
3-ethyl-1-(4-fluoro-2-methylphenyl)-3-methoxy-N-propylpentan-2-amine
CID 114348390
1-(2-bromo-5-fluorophenyl)-N,3,3-trimethylbutan-2-amine
CID 62599843
1-(2-bromo-4-fluorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65131599
2-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylethanamine
CID 62608660
1-(2-chloro-4-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 79197437
N-[(2-bromo-4-fluorophenyl)methyl]-1-chloro-2-(chloromethyl)butan-2-amine
CID 107867058
3-ethyl-3-methoxy-N-methyl-1-phenylpentan-2-amine
CID 116760798
1-(2-bromo-4-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine
CID 103168471
2-(2-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115842981
2-(2-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116762866

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-ethyl-3-methoxy-N-methylpentan-2-amine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-ethyl-3-methoxy-N-methylpentan-2-amine (CID 116760800) is 1-(2-bromo-4-fluorophenyl)-3-ethyl-3-methoxy-N-methylpentan-2-amine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-3-ethyl-3-methoxy-N-methylpentan-2-amine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-3-ethyl-3-methoxy-N-methylpentan-2-amine is CCC(CC)(OC)C(Cc1ccc(F)cc1Br)NC.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-3-ethyl-3-methoxy-N-methylpentan-2-amine?
The InChIKey is DVNRMMVNYYTRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFNO/c1-5-15(6-2,19-4)14(18-3)9-11-7-8-12(17)10-13(11)16/h7-8,10,14,18H,5-6,9H2,1-4H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-3-ethyl-3-methoxy-N-methylpentan-2-amine?
1-(2-bromo-4-fluorophenyl)-3-ethyl-3-methoxy-N-methylpentan-2-amine has a molecular weight of 332.26 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-3-ethyl-3-methoxy-N-methylpentan-2-amine is sourced from PubChem (CID 116760800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).