1-(3-bromophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol

C17H20BrNO — CID 12549085

IUPAC1-(3-bromophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol
SMILESCN(C)CC(O)C(c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C17H20BrNO/c1-19(2)12-16(20)17(13-7-4-3-5-8-13)14-9-6-10-15(18)11-14/h3-11,16-17,20H,12H2,1-2H3
InChIKeyHXGZIOIAGCFPNS-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.50
Rot. Bonds5

About 1-(3-bromophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol

1-(3-bromophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol (PubChem CID 12549085) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol
PubChem CID12549085
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-(3-bromophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol
SMILESCN(C)CC(O)C(c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C17H20BrNO/c1-19(2)12-16(20)17(13-7-4-3-5-8-13)14-9-6-10-15(18)11-14/h3-11,16-17,20H,12H2,1-2H3
InChIKeyHXGZIOIAGCFPNS-UHFFFAOYSA-N
XLogP3.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol;hydrochloride
CID 20542460
3-(dimethylamino)-1-(4-methoxyphenyl)-1-phenylpropan-2-ol;hydrochloride
CID 12549092
3-(dimethylamino)-1-(2-methylphenyl)-1-phenylpropan-2-ol
CID 12549089
1-(3-bromophenyl)-4-(dimethylamino)-2-phenylbut-2-en-1-ol
CID 54101014
3-[benzyl(methyl)amino]-1,1-diphenylpropan-2-ol
CID 12549048
1-(3-bromophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethanol
CID 61477128
3-amino-1-(3-bromophenyl)-1-(dimethylamino)propan-2-ol
CID 116911764
1-(3-bromophenyl)-3-[1-(dimethylamino)propan-2-yl-ethylamino]propan-1-ol
CID 103191448
2-(3-bromophenyl)-2-phenylethanol
CID 118542656
1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745
2-(3-bromophenyl)pentan-3-ol
CID 79298699
(3-bromophenyl)-(2-ethylphenyl)methanol
CID 91657859

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol?
The IUPAC name of 1-(3-bromophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol (CID 12549085) is 1-(3-bromophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol.
What is the SMILES notation for 1-(3-bromophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol?
The canonical SMILES for 1-(3-bromophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol is CN(C)CC(O)C(c1ccccc1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol?
The InChIKey is HXGZIOIAGCFPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-19(2)12-16(20)17(13-7-4-3-5-8-13)14-9-6-10-15(18)11-14/h3-11,16-17,20H,12H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol?
1-(3-bromophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol has a molecular weight of 334.26 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol is sourced from PubChem (CID 12549085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).