5-[1-(2-bromo-4-fluorophenyl)ethylamino]-4,4-dimethylpentan-1-ol

C15H23BrFNO — CID 103898959

IUPAC5-[1-(2-bromo-4-fluorophenyl)ethylamino]-4,4-dimethylpentan-1-ol
SMILESCC(NCC(C)(C)CCCO)c1ccc(F)cc1Br
InChIInChI=1S/C15H23BrFNO/c1-11(13-6-5-12(17)9-14(13)16)18-10-15(2,3)7-4-8-19/h5-6,9,11,18-19H,4,7-8,10H2,1-3H3
InChIKeyRJHJPUMMZZPAQH-UHFFFAOYSA-N
MW332.26 g/mol
LogP4.04
Rot. Bonds7

About 5-[1-(2-bromo-4-fluorophenyl)ethylamino]-4,4-dimethylpentan-1-ol

5-[1-(2-bromo-4-fluorophenyl)ethylamino]-4,4-dimethylpentan-1-ol (PubChem CID 103898959) has the molecular formula C15H23BrFNO and a molecular weight of 332.26 g/mol. Its IUPAC name is 5-[1-(2-bromo-4-fluorophenyl)ethylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[1-(2-bromo-4-fluorophenyl)ethylamino]-4,4-dimethylpentan-1-ol
PubChem CID103898959
Molecular FormulaC15H23BrFNO
Molecular Weight332.26 g/mol
Exact Mass331.09
IUPAC Name5-[1-(2-bromo-4-fluorophenyl)ethylamino]-4,4-dimethylpentan-1-ol
SMILESCC(NCC(C)(C)CCCO)c1ccc(F)cc1Br
InChIInChI=1S/C15H23BrFNO/c1-11(13-6-5-12(17)9-14(13)16)18-10-15(2,3)7-4-8-19/h5-6,9,11,18-19H,4,7-8,10H2,1-3H3
InChIKeyRJHJPUMMZZPAQH-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

Analyze 5-[1-(2-bromo-4-fluorophenyl)ethylamino]-4,4-dimethylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(2-bromo-4-fluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol
CID 103787544
3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol
CID 106144463
N-[1-(2-bromo-4-fluorophenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 103787855
3-[1-(2-bromo-4-fluorophenyl)ethylamino]butan-1-ol
CID 115722179
N-[1-(2-bromo-4-fluorophenyl)ethyl]-5,5,5-trifluoropentan-1-amine
CID 103904216
(2R)-2-[1-(2-bromo-4-fluorophenyl)ethylamino]propan-1-ol
CID 103778517
N-[1-[1-(2-bromo-4-fluorophenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 103902045
2-[1-(2-bromo-4-fluorophenyl)ethylamino]-N-tert-butylacetamide
CID 103776829
N-[1-(2-bromo-4-fluorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 103775462
2-bromo-N-[1-(2-bromo-4-fluorophenyl)ethyl]prop-2-en-1-amine
CID 115717189
3-[1-(2-bromo-4-fluorophenyl)ethylamino]-2-methylbutan-1-ol
CID 113261992
tert-butyl 2-[1-(2-bromo-4-fluorophenyl)ethylamino]acetate
CID 103917117

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-bromo-4-fluorophenyl)ethylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[1-(2-bromo-4-fluorophenyl)ethylamino]-4,4-dimethylpentan-1-ol (CID 103898959) is 5-[1-(2-bromo-4-fluorophenyl)ethylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[1-(2-bromo-4-fluorophenyl)ethylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[1-(2-bromo-4-fluorophenyl)ethylamino]-4,4-dimethylpentan-1-ol is CC(NCC(C)(C)CCCO)c1ccc(F)cc1Br.
What is the InChIKey of 5-[1-(2-bromo-4-fluorophenyl)ethylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is RJHJPUMMZZPAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFNO/c1-11(13-6-5-12(17)9-14(13)16)18-10-15(2,3)7-4-8-19/h5-6,9,11,18-19H,4,7-8,10H2,1-3H3.
What are the key properties of 5-[1-(2-bromo-4-fluorophenyl)ethylamino]-4,4-dimethylpentan-1-ol?
5-[1-(2-bromo-4-fluorophenyl)ethylamino]-4,4-dimethylpentan-1-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 5-[1-(2-bromo-4-fluorophenyl)ethylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 103898959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).