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

C13H21BrN2O — CID 103838978

IUPAC1-[(4-bromophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNCc1ccc(Br)cc1
InChIInChI=1S/C13H21BrN2O/c1-13(17,10-16(2)3)9-15-8-11-4-6-12(14)7-5-11/h4-7,15,17H,8-10H2,1-3H3
InChIKeyWRRBHASKRNJTHB-UHFFFAOYSA-N
MW301.23 g/mol
LogP1.85
Rot. Bonds6

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

1-[(4-bromophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 103838978) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-bromophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID103838978
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name1-[(4-bromophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNCc1ccc(Br)cc1
InChIInChI=1S/C13H21BrN2O/c1-13(17,10-16(2)3)9-15-8-11-4-6-12(14)7-5-11/h4-7,15,17H,8-10H2,1-3H3
InChIKeyWRRBHASKRNJTHB-UHFFFAOYSA-N
XLogP1.85
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]phenol
CID 103838856
4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]benzamide
CID 103839007
1-[(4-bromophenyl)methylamino]-2-methylpentan-2-ol
CID 115623479
1-(dimethylamino)-3-[(3,4-dimethylphenyl)methylamino]-2-methylpropan-2-ol
CID 103838996
1-(dimethylamino)-2-methyl-3-[(4-nitrophenyl)methylamino]propan-2-ol
CID 103838866
1-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 103838824
1-[(5-bromofuran-2-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103527551
1-[(3,5-dibromo-4-ethoxyphenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103838813
1-(dimethylamino)-3-[(4-methoxy-3-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 103838837
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 113322189
1-(dimethylamino)-3-(1H-indol-5-ylmethylamino)-2-methylpropan-2-ol
CID 106145243
1-[(2-bromo-4-fluorophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103838949

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-[(4-bromophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol (CID 103838978) is 1-[(4-bromophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(4-bromophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-[(4-bromophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol is CN(C)CC(C)(O)CNCc1ccc(Br)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is WRRBHASKRNJTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-13(17,10-16(2)3)9-15-8-11-4-6-12(14)7-5-11/h4-7,15,17H,8-10H2,1-3H3.
What are the key properties of 1-[(4-bromophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
1-[(4-bromophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 301.23 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 103838978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).