3-[(5-bromo-2-fluorophenyl)methylamino]pentan-1-ol

C12H17BrFNO — CID 111449155

IUPAC3-[(5-bromo-2-fluorophenyl)methylamino]pentan-1-ol
SMILESCCC(CCO)NCc1cc(Br)ccc1F
InChIInChI=1S/C12H17BrFNO/c1-2-11(5-6-16)15-8-9-7-10(13)3-4-12(9)14/h3-4,7,11,15-16H,2,5-6,8H2,1H3
InChIKeyZRWBMJJIHOAMSU-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.84
Rot. Bonds6

About 3-[(5-bromo-2-fluorophenyl)methylamino]pentan-1-ol

3-[(5-bromo-2-fluorophenyl)methylamino]pentan-1-ol (PubChem CID 111449155) has the molecular formula C12H17BrFNO and a molecular weight of 290.18 g/mol. Its IUPAC name is 3-[(5-bromo-2-fluorophenyl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name3-[(5-bromo-2-fluorophenyl)methylamino]pentan-1-ol
PubChem CID111449155
Molecular FormulaC12H17BrFNO
Molecular Weight290.18 g/mol
Exact Mass289.05
IUPAC Name3-[(5-bromo-2-fluorophenyl)methylamino]pentan-1-ol
SMILESCCC(CCO)NCc1cc(Br)ccc1F
InChIInChI=1S/C12H17BrFNO/c1-2-11(5-6-16)15-8-9-7-10(13)3-4-12(9)14/h3-4,7,11,15-16H,2,5-6,8H2,1H3
InChIKeyZRWBMJJIHOAMSU-UHFFFAOYSA-N
XLogP2.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-bromo-2-fluorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77032559
(2S)-2-[(4-bromo-2-fluorophenyl)methylamino]butan-1-ol
CID 51863621
3-[(4-bromo-2-nitrophenyl)methylamino]pentan-1-ol
CID 114381554
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994361
(2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol
CID 96910013
N-[(2,5-difluorophenyl)methyl]hexan-3-amine
CID 62119463
3-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol
CID 102876674
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]butan-2-amine
CID 83186890
3-[(5-bromo-2-fluorophenyl)methylamino]-2-methylbutan-2-ol
CID 62816209
(2R)-2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40727200
N-[(5-bromo-2-fluorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271161
N-[(5-bromo-2-fluorophenyl)methyl]nonan-2-amine
CID 63455979

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-fluorophenyl)methylamino]pentan-1-ol?
The IUPAC name of 3-[(5-bromo-2-fluorophenyl)methylamino]pentan-1-ol (CID 111449155) is 3-[(5-bromo-2-fluorophenyl)methylamino]pentan-1-ol.
What is the SMILES notation for 3-[(5-bromo-2-fluorophenyl)methylamino]pentan-1-ol?
The canonical SMILES for 3-[(5-bromo-2-fluorophenyl)methylamino]pentan-1-ol is CCC(CCO)NCc1cc(Br)ccc1F.
What is the InChIKey of 3-[(5-bromo-2-fluorophenyl)methylamino]pentan-1-ol?
The InChIKey is ZRWBMJJIHOAMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO/c1-2-11(5-6-16)15-8-9-7-10(13)3-4-12(9)14/h3-4,7,11,15-16H,2,5-6,8H2,1H3.
What are the key properties of 3-[(5-bromo-2-fluorophenyl)methylamino]pentan-1-ol?
3-[(5-bromo-2-fluorophenyl)methylamino]pentan-1-ol has a molecular weight of 290.18 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-fluorophenyl)methylamino]pentan-1-ol is sourced from PubChem (CID 111449155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).