3-[(4-bromo-2-fluorophenyl)methylamino]-3-methylpentan-1-ol

C13H19BrFNO — CID 103768781

IUPAC3-[(4-bromo-2-fluorophenyl)methylamino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCc1ccc(Br)cc1F
InChIInChI=1S/C13H19BrFNO/c1-3-13(2,6-7-17)16-9-10-4-5-11(14)8-12(10)15/h4-5,8,16-17H,3,6-7,9H2,1-2H3
InChIKeyGNCJPIXKZLGVTQ-UHFFFAOYSA-N
MW304.20 g/mol
LogP3.23
Rot. Bonds6

About 3-[(4-bromo-2-fluorophenyl)methylamino]-3-methylpentan-1-ol

3-[(4-bromo-2-fluorophenyl)methylamino]-3-methylpentan-1-ol (PubChem CID 103768781) has the molecular formula C13H19BrFNO and a molecular weight of 304.20 g/mol. Its IUPAC name is 3-[(4-bromo-2-fluorophenyl)methylamino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(4-bromo-2-fluorophenyl)methylamino]-3-methylpentan-1-ol
PubChem CID103768781
Molecular FormulaC13H19BrFNO
Molecular Weight304.20 g/mol
Exact Mass303.06
IUPAC Name3-[(4-bromo-2-fluorophenyl)methylamino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCc1ccc(Br)cc1F
InChIInChI=1S/C13H19BrFNO/c1-3-13(2,6-7-17)16-9-10-4-5-11(14)8-12(10)15/h4-5,8,16-17H,3,6-7,9H2,1-2H3
InChIKeyGNCJPIXKZLGVTQ-UHFFFAOYSA-N
XLogP3.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-bromo-2-fluorophenyl)methylamino]-2,3-dimethylbutan-2-ol
CID 103911918
2-(5-bromo-2-fluorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 110002590
4-fluoro-3-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]benzonitrile
CID 113259423
1-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-3-methylpentan-3-amine
CID 106167289
2-[(4-bromo-2-fluorophenyl)methylamino]-2-methylpropanamide
CID 61219784
N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane
CID 143672674
methyl 3-bromo-4-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]benzoate
CID 106175586
3-[(4-bromo-2-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949915
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
3-fluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]benzamide
CID 64549762
(2S)-2-[(4-bromo-2-fluorophenyl)methylamino]butan-1-ol
CID 51863621
N-[(4-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)-2-ethylbutan-1-amine
CID 114164302

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2-fluorophenyl)methylamino]-3-methylpentan-1-ol?
The IUPAC name of 3-[(4-bromo-2-fluorophenyl)methylamino]-3-methylpentan-1-ol (CID 103768781) is 3-[(4-bromo-2-fluorophenyl)methylamino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[(4-bromo-2-fluorophenyl)methylamino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[(4-bromo-2-fluorophenyl)methylamino]-3-methylpentan-1-ol is CCC(C)(CCO)NCc1ccc(Br)cc1F.
What is the InChIKey of 3-[(4-bromo-2-fluorophenyl)methylamino]-3-methylpentan-1-ol?
The InChIKey is GNCJPIXKZLGVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFNO/c1-3-13(2,6-7-17)16-9-10-4-5-11(14)8-12(10)15/h4-5,8,16-17H,3,6-7,9H2,1-2H3.
What are the key properties of 3-[(4-bromo-2-fluorophenyl)methylamino]-3-methylpentan-1-ol?
3-[(4-bromo-2-fluorophenyl)methylamino]-3-methylpentan-1-ol has a molecular weight of 304.20 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2-fluorophenyl)methylamino]-3-methylpentan-1-ol is sourced from PubChem (CID 103768781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).