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

C13H19BrFNO — CID 113261992

IUPAC3-[1-(2-bromo-4-fluorophenyl)ethylamino]-2-methylbutan-1-ol
SMILESCC(NC(C)C(C)CO)c1ccc(F)cc1Br
InChIInChI=1S/C13H19BrFNO/c1-8(7-17)9(2)16-10(3)12-5-4-11(15)6-13(12)14/h4-6,8-10,16-17H,7H2,1-3H3
InChIKeyWAECWXHETBAGEH-UHFFFAOYSA-N
MW304.20 g/mol
LogP3.26
Rot. Bonds5

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

3-[1-(2-bromo-4-fluorophenyl)ethylamino]-2-methylbutan-1-ol (PubChem CID 113261992) has the molecular formula C13H19BrFNO and a molecular weight of 304.20 g/mol. Its IUPAC name is 3-[1-(2-bromo-4-fluorophenyl)ethylamino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-[1-(2-bromo-4-fluorophenyl)ethylamino]-2-methylbutan-1-ol
PubChem CID113261992
Molecular FormulaC13H19BrFNO
Molecular Weight304.20 g/mol
Exact Mass303.06
IUPAC Name3-[1-(2-bromo-4-fluorophenyl)ethylamino]-2-methylbutan-1-ol
SMILESCC(NC(C)C(C)CO)c1ccc(F)cc1Br
InChIInChI=1S/C13H19BrFNO/c1-8(7-17)9(2)16-10(3)12-5-4-11(15)6-13(12)14/h4-6,8-10,16-17H,7H2,1-3H3
InChIKeyWAECWXHETBAGEH-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[1-(2-bromo-4-fluorophenyl)ethylamino]propan-1-ol
CID 103778517
3-[1-(2-bromo-4-fluorophenyl)ethylamino]butan-1-ol
CID 115722179
N-[1-(2-bromo-4-fluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine
CID 104860307
N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 115704341
4-[1-(2-bromo-4-fluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol
CID 103787544
2-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-methylbutanamide
CID 106344381
2-N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 103778387
N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 103775505
2-bromo-N-[1-(2-bromo-4-fluorophenyl)ethyl]prop-2-en-1-amine
CID 115717189
5-[1-(2-bromo-4-fluorophenyl)ethylamino]-4,4-dimethylpentan-1-ol
CID 103898959
1-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111453811
(2S)-2-amino-2-(2-bromo-4-fluorophenyl)ethanol;hydrochloride
CID 171201244

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-bromo-4-fluorophenyl)ethylamino]-2-methylbutan-1-ol?
The IUPAC name of 3-[1-(2-bromo-4-fluorophenyl)ethylamino]-2-methylbutan-1-ol (CID 113261992) is 3-[1-(2-bromo-4-fluorophenyl)ethylamino]-2-methylbutan-1-ol.
What is the SMILES notation for 3-[1-(2-bromo-4-fluorophenyl)ethylamino]-2-methylbutan-1-ol?
The canonical SMILES for 3-[1-(2-bromo-4-fluorophenyl)ethylamino]-2-methylbutan-1-ol is CC(NC(C)C(C)CO)c1ccc(F)cc1Br.
What is the InChIKey of 3-[1-(2-bromo-4-fluorophenyl)ethylamino]-2-methylbutan-1-ol?
The InChIKey is WAECWXHETBAGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFNO/c1-8(7-17)9(2)16-10(3)12-5-4-11(15)6-13(12)14/h4-6,8-10,16-17H,7H2,1-3H3.
What are the key properties of 3-[1-(2-bromo-4-fluorophenyl)ethylamino]-2-methylbutan-1-ol?
3-[1-(2-bromo-4-fluorophenyl)ethylamino]-2-methylbutan-1-ol has a molecular weight of 304.20 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-bromo-4-fluorophenyl)ethylamino]-2-methylbutan-1-ol is sourced from PubChem (CID 113261992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).