1-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol

C15H23BrFNO — CID 106284625

IUPAC1-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNC(C)c1ccc(F)cc1Br
InChIInChI=1S/C15H23BrFNO/c1-4-11(5-2)15(19)9-18-10(3)13-7-6-12(17)8-14(13)16/h6-8,10-11,15,18-19H,4-5,9H2,1-3H3
InChIKeyCMJOMMYJCWPBIG-UHFFFAOYSA-N
MW332.26 g/mol
LogP4.04
Rot. Bonds7

About 1-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol

1-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol (PubChem CID 106284625) has the molecular formula C15H23BrFNO and a molecular weight of 332.26 g/mol. Its IUPAC name is 1-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol
PubChem CID106284625
Molecular FormulaC15H23BrFNO
Molecular Weight332.26 g/mol
Exact Mass331.09
IUPAC Name1-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNC(C)c1ccc(F)cc1Br
InChIInChI=1S/C15H23BrFNO/c1-4-11(5-2)15(19)9-18-10(3)13-7-6-12(17)8-14(13)16/h6-8,10-11,15,18-19H,4-5,9H2,1-3H3
InChIKeyCMJOMMYJCWPBIG-UHFFFAOYSA-N
XLogP4.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 103783021
3-ethyl-1-[1-(3-fluorophenyl)ethylamino]pentan-2-ol
CID 113261396
N-[1-(2-bromo-4-fluorophenyl)ethyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 113261530
1-[(2-bromo-4-fluorophenyl)methylamino]-3-ethylpentan-2-ol
CID 103793048
2-bromo-N-[1-(2-bromo-4-fluorophenyl)ethyl]prop-2-en-1-amine
CID 115717189
1-[1-(2,5-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284802
1-[1-(2,4-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284484
1-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 103716969
N-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine
CID 103775782
3-[1-(2-bromo-4-fluorophenyl)ethylamino]-N-ethylpropanamide
CID 114068412
N-[1-(2-bromo-4-fluorophenyl)ethyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 103777846
(2R)-2-[1-(2-bromo-4-fluorophenyl)ethylamino]propan-1-ol
CID 103778517

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol?
The IUPAC name of 1-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol (CID 106284625) is 1-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol.
What is the SMILES notation for 1-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol?
The canonical SMILES for 1-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol is CCC(CC)C(O)CNC(C)c1ccc(F)cc1Br.
What is the InChIKey of 1-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol?
The InChIKey is CMJOMMYJCWPBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFNO/c1-4-11(5-2)15(19)9-18-10(3)13-7-6-12(17)8-14(13)16/h6-8,10-11,15,18-19H,4-5,9H2,1-3H3.
What are the key properties of 1-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol?
1-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol has a molecular weight of 332.26 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol is sourced from PubChem (CID 106284625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).