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

C13H20BrFN2O — CID 103838949

IUPAC1-[(2-bromo-4-fluorophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNCc1ccc(F)cc1Br
InChIInChI=1S/C13H20BrFN2O/c1-13(18,9-17(2)3)8-16-7-10-4-5-11(15)6-12(10)14/h4-6,16,18H,7-9H2,1-3H3
InChIKeyDKSJKZNHVLJEIF-UHFFFAOYSA-N
MW319.22 g/mol
LogP1.99
Rot. Bonds6

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

1-[(2-bromo-4-fluorophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 103838949) has the molecular formula C13H20BrFN2O and a molecular weight of 319.22 g/mol. Its IUPAC name is 1-[(2-bromo-4-fluorophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-bromo-4-fluorophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID103838949
Molecular FormulaC13H20BrFN2O
Molecular Weight319.22 g/mol
Exact Mass318.07
IUPAC Name1-[(2-bromo-4-fluorophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNCc1ccc(F)cc1Br
InChIInChI=1S/C13H20BrFN2O/c1-13(18,9-17(2)3)8-16-7-10-4-5-11(15)6-12(10)14/h4-6,16,18H,7-9H2,1-3H3
InChIKeyDKSJKZNHVLJEIF-UHFFFAOYSA-N
XLogP1.99
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(dimethylamino)-3-[(4-fluoro-2-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 103839019
1-[(2-bromo-5-chlorophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103838920
4-bromo-2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]phenol
CID 103838856
1-[(4-bromophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103838978
2-[(2-bromo-4-fluorophenyl)methylamino]-N-tert-butylacetamide
CID 81422388
2-[(2-bromo-4-fluorophenyl)methylamino]ethanol
CID 43416404
1-[(5-bromofuran-2-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103527551
6-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-1,3-benzodioxol-5-ol
CID 103839025
1-[(3,5-dibromo-4-ethoxyphenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103838813
1-[(2-bromo-4-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 84589778
N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64568536
1-[(2-chloro-5-fluorophenyl)methylamino]-2-methylbutan-2-ol
CID 102615748

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-fluorophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-[(2-bromo-4-fluorophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol (CID 103838949) is 1-[(2-bromo-4-fluorophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2-bromo-4-fluorophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2-bromo-4-fluorophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol is CN(C)CC(C)(O)CNCc1ccc(F)cc1Br.
What is the InChIKey of 1-[(2-bromo-4-fluorophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is DKSJKZNHVLJEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrFN2O/c1-13(18,9-17(2)3)8-16-7-10-4-5-11(15)6-12(10)14/h4-6,16,18H,7-9H2,1-3H3.
What are the key properties of 1-[(2-bromo-4-fluorophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
1-[(2-bromo-4-fluorophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 319.22 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-fluorophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 103838949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).