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

C15H23BrFNO — CID 103025115

IUPAC1-(4-bromo-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
SMILESCCNC(Cc1ccc(Br)cc1F)CC(C)(C)OC
InChIInChI=1S/C15H23BrFNO/c1-5-18-13(10-15(2,3)19-4)8-11-6-7-12(16)9-14(11)17/h6-7,9,13,18H,5,8,10H2,1-4H3
InChIKeyOIELFHCCXUTLEP-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.92
Rot. Bonds7

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

1-(4-bromo-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine (PubChem CID 103025115) has the molecular formula C15H23BrFNO and a molecular weight of 332.26 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
PubChem CID103025115
Molecular FormulaC15H23BrFNO
Molecular Weight332.26 g/mol
Exact Mass331.09
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
SMILESCCNC(Cc1ccc(Br)cc1F)CC(C)(C)OC
InChIInChI=1S/C15H23BrFNO/c1-5-18-13(10-15(2,3)19-4)8-11-6-7-12(16)9-14(11)17/h6-7,9,13,18H,5,8,10H2,1-4H3
InChIKeyOIELFHCCXUTLEP-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine (CID 103025115) is 1-(4-bromo-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine is CCNC(Cc1ccc(Br)cc1F)CC(C)(C)OC.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine?
The InChIKey is OIELFHCCXUTLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFNO/c1-5-18-13(10-15(2,3)19-4)8-11-6-7-12(16)9-14(11)17/h6-7,9,13,18H,5,8,10H2,1-4H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine?
1-(4-bromo-2-fluorophenyl)-N-ethyl-4-methoxy-4-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-(4-bromo-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 103025115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).