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

C11H15BrFNO — CID 65036447

IUPAC3-[(2-bromo-5-fluorophenyl)methylamino]-2-methylpropan-1-ol
SMILESCC(CO)CNCc1cc(F)ccc1Br
InChIInChI=1S/C11H15BrFNO/c1-8(7-15)5-14-6-9-4-10(13)2-3-11(9)12/h2-4,8,14-15H,5-7H2,1H3
InChIKeyNTABPKQIPMWIAC-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.31
Rot. Bonds5

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

3-[(2-bromo-5-fluorophenyl)methylamino]-2-methylpropan-1-ol (PubChem CID 65036447) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 3-[(2-bromo-5-fluorophenyl)methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(2-bromo-5-fluorophenyl)methylamino]-2-methylpropan-1-ol
PubChem CID65036447
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name3-[(2-bromo-5-fluorophenyl)methylamino]-2-methylpropan-1-ol
SMILESCC(CO)CNCc1cc(F)ccc1Br
InChIInChI=1S/C11H15BrFNO/c1-8(7-15)5-14-6-9-4-10(13)2-3-11(9)12/h2-4,8,14-15H,5-7H2,1H3
InChIKeyNTABPKQIPMWIAC-UHFFFAOYSA-N
XLogP2.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol
CID 93083077
N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 28566155
N-[(2-bromo-5-fluorophenyl)methyl]-2-phenylpropan-1-amine
CID 63452893
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115967971
N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-1-amine
CID 113287438
2-[[(3-hydroxy-2-methylpropyl)amino]methyl]-4,5-dimethylphenol
CID 111466490
1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride
CID 86811714
3-[(2-bromo-5-fluorophenyl)methylamino]-3-methylbutan-2-ol
CID 115866772
N-[(2-bromo-5-fluorophenyl)methyl]-2-methylidenebutan-1-amine
CID 66047118
3-bromo-4-[[(3-hydroxy-2-methylpropyl)amino]methyl]benzoic acid
CID 103253872
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3,5-difluorophenyl)methanamine
CID 115767644
2-N-[(2-bromo-5-fluorophenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 54958788

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-fluorophenyl)methylamino]-2-methylpropan-1-ol?
The IUPAC name of 3-[(2-bromo-5-fluorophenyl)methylamino]-2-methylpropan-1-ol (CID 65036447) is 3-[(2-bromo-5-fluorophenyl)methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(2-bromo-5-fluorophenyl)methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(2-bromo-5-fluorophenyl)methylamino]-2-methylpropan-1-ol is CC(CO)CNCc1cc(F)ccc1Br.
What is the InChIKey of 3-[(2-bromo-5-fluorophenyl)methylamino]-2-methylpropan-1-ol?
The InChIKey is NTABPKQIPMWIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-8(7-15)5-14-6-9-4-10(13)2-3-11(9)12/h2-4,8,14-15H,5-7H2,1H3.
What are the key properties of 3-[(2-bromo-5-fluorophenyl)methylamino]-2-methylpropan-1-ol?
3-[(2-bromo-5-fluorophenyl)methylamino]-2-methylpropan-1-ol has a molecular weight of 276.15 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-5-fluorophenyl)methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 65036447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).