3-amino-1-(3-bromophenyl)-1-(dimethylamino)propan-2-ol

C11H17BrN2O — CID 116911764

IUPAC3-amino-1-(3-bromophenyl)-1-(dimethylamino)propan-2-ol
SMILESCN(C)C(c1cccc(Br)c1)C(O)CN
InChIInChI=1S/C11H17BrN2O/c1-14(2)11(10(15)7-13)8-4-3-5-9(12)6-8/h3-6,10-11,15H,7,13H2,1-2H3
InChIKeyAKNRYYWHQBEPJB-UHFFFAOYSA-N
MW273.17 g/mol
LogP1.37
Rot. Bonds4

About 3-amino-1-(3-bromophenyl)-1-(dimethylamino)propan-2-ol

3-amino-1-(3-bromophenyl)-1-(dimethylamino)propan-2-ol (PubChem CID 116911764) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 3-amino-1-(3-bromophenyl)-1-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name3-amino-1-(3-bromophenyl)-1-(dimethylamino)propan-2-ol
PubChem CID116911764
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name3-amino-1-(3-bromophenyl)-1-(dimethylamino)propan-2-ol
SMILESCN(C)C(c1cccc(Br)c1)C(O)CN
InChIInChI=1S/C11H17BrN2O/c1-14(2)11(10(15)7-13)8-4-3-5-9(12)6-8/h3-6,10-11,15H,7,13H2,1-2H3
InChIKeyAKNRYYWHQBEPJB-UHFFFAOYSA-N
XLogP1.37
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-amino-1-(dimethylamino)-1-(4-methoxy-3-methylphenyl)propan-2-ol
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1-(3-bromophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol
CID 12549085
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2-(aminomethyl)-1-(3-bromophenyl)pentan-1-ol
CID 79412864
2-(3-bromophenyl)pentan-3-ol
CID 79298699
1-amino-2-(3-bromophenyl)-4-methylhexan-3-ol
CID 65187712
1-(3-bromophenyl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine
CID 55000910
3-amino-2-(3-bromophenyl)-1-(2-methylcyclopropyl)propan-1-ol
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(4S)-5-amino-4-(3-bromophenyl)pentan-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-bromophenyl)-1-(dimethylamino)propan-2-ol?
The IUPAC name of 3-amino-1-(3-bromophenyl)-1-(dimethylamino)propan-2-ol (CID 116911764) is 3-amino-1-(3-bromophenyl)-1-(dimethylamino)propan-2-ol.
What is the SMILES notation for 3-amino-1-(3-bromophenyl)-1-(dimethylamino)propan-2-ol?
The canonical SMILES for 3-amino-1-(3-bromophenyl)-1-(dimethylamino)propan-2-ol is CN(C)C(c1cccc(Br)c1)C(O)CN.
What is the InChIKey of 3-amino-1-(3-bromophenyl)-1-(dimethylamino)propan-2-ol?
The InChIKey is AKNRYYWHQBEPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-14(2)11(10(15)7-13)8-4-3-5-9(12)6-8/h3-6,10-11,15H,7,13H2,1-2H3.
What are the key properties of 3-amino-1-(3-bromophenyl)-1-(dimethylamino)propan-2-ol?
3-amino-1-(3-bromophenyl)-1-(dimethylamino)propan-2-ol has a molecular weight of 273.17 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-bromophenyl)-1-(dimethylamino)propan-2-ol is sourced from PubChem (CID 116911764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).