1-(3-bromophenyl)-4-(dimethylamino)-2-phenylbut-2-en-1-ol

C18H20BrNO — CID 54101014

IUPAC1-(3-bromophenyl)-4-(dimethylamino)-2-phenylbut-2-en-1-ol
SMILESCN(C)CC=C(c1ccccc1)C(O)c1cccc(Br)c1
InChIInChI=1S/C18H20BrNO/c1-20(2)12-11-17(14-7-4-3-5-8-14)18(21)15-9-6-10-16(19)13-15/h3-11,13,18,21H,12H2,1-2H3
InChIKeyNAMWCCUZIHPFMZ-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.13
Rot. Bonds5

About 1-(3-bromophenyl)-4-(dimethylamino)-2-phenylbut-2-en-1-ol

1-(3-bromophenyl)-4-(dimethylamino)-2-phenylbut-2-en-1-ol (PubChem CID 54101014) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-(dimethylamino)-2-phenylbut-2-en-1-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-(dimethylamino)-2-phenylbut-2-en-1-ol
PubChem CID54101014
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name1-(3-bromophenyl)-4-(dimethylamino)-2-phenylbut-2-en-1-ol
SMILESCN(C)CC=C(c1ccccc1)C(O)c1cccc(Br)c1
InChIInChI=1S/C18H20BrNO/c1-20(2)12-11-17(14-7-4-3-5-8-14)18(21)15-9-6-10-16(19)13-15/h3-11,13,18,21H,12H2,1-2H3
InChIKeyNAMWCCUZIHPFMZ-UHFFFAOYSA-N
XLogP4.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(diethylamino)-1,2-diphenylbut-2-en-1-ol
CID 54410683
1-(3-bromophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol
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2-(3-bromophenyl)-2-hydroxyacetic acid
CID 2757028
(E,1R)-1,2-diphenylbut-2-en-1-ol
CID 135000774
1-(3-bromophenyl)butan-1-ol
CID 18417756
1-(3-bromophenyl)ethyl benzoate
CID 141056018
3-[(3-bromophenyl)-(dimethylamino)methyl]benzoic acid
CID 116908426
2-(3-bromophenyl)-2-phenylethanol
CID 118542656
1-(3-bromophenyl)-2-phenylselanylethanol
CID 175417994
1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol
CID 65486726
3-amino-1-(3-bromophenyl)-1-(dimethylamino)propan-2-ol
CID 116911764
1-bromo-3-(2-bromo-1-phenylethyl)benzene
CID 151109917

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-(dimethylamino)-2-phenylbut-2-en-1-ol?
The IUPAC name of 1-(3-bromophenyl)-4-(dimethylamino)-2-phenylbut-2-en-1-ol (CID 54101014) is 1-(3-bromophenyl)-4-(dimethylamino)-2-phenylbut-2-en-1-ol.
What is the SMILES notation for 1-(3-bromophenyl)-4-(dimethylamino)-2-phenylbut-2-en-1-ol?
The canonical SMILES for 1-(3-bromophenyl)-4-(dimethylamino)-2-phenylbut-2-en-1-ol is CN(C)CC=C(c1ccccc1)C(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-4-(dimethylamino)-2-phenylbut-2-en-1-ol?
The InChIKey is NAMWCCUZIHPFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-20(2)12-11-17(14-7-4-3-5-8-14)18(21)15-9-6-10-16(19)13-15/h3-11,13,18,21H,12H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-4-(dimethylamino)-2-phenylbut-2-en-1-ol?
1-(3-bromophenyl)-4-(dimethylamino)-2-phenylbut-2-en-1-ol has a molecular weight of 346.27 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-(dimethylamino)-2-phenylbut-2-en-1-ol is sourced from PubChem (CID 54101014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).