1-(4-bromophenyl)-4-(dimethylamino)butan-2-ol

C12H18BrNO — CID 115346011

IUPAC1-(4-bromophenyl)-4-(dimethylamino)butan-2-ol
SMILESCN(C)CCC(O)Cc1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO/c1-14(2)8-7-12(15)9-10-3-5-11(13)6-4-10/h3-6,12,15H,7-9H2,1-2H3
InChIKeyDHPSQYHMIBFEHX-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.30
Rot. Bonds5

About 1-(4-bromophenyl)-4-(dimethylamino)butan-2-ol

1-(4-bromophenyl)-4-(dimethylamino)butan-2-ol (PubChem CID 115346011) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-(dimethylamino)butan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-(dimethylamino)butan-2-ol
PubChem CID115346011
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name1-(4-bromophenyl)-4-(dimethylamino)butan-2-ol
SMILESCN(C)CCC(O)Cc1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO/c1-14(2)8-7-12(15)9-10-3-5-11(13)6-4-10/h3-6,12,15H,7-9H2,1-2H3
InChIKeyDHPSQYHMIBFEHX-UHFFFAOYSA-N
XLogP2.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-4-(dimethylamino)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-bromophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346323
1-(4-bromophenyl)-5-methoxypentan-2-ol
CID 62608729
1-(5-bromo-2-methoxyphenyl)-4-(dimethylamino)butan-2-ol
CID 113291156
4-(4-bromophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 113291352
1-(4-bromophenyl)-8-methylnon-7-en-2-ol
CID 72713229
1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 63015995
2-(4-bromophenyl)ethane-1,1-diol
CID 54153595
1-[(4-bromophenyl)methyl-methylamino]-3-phenylpropan-2-ol
CID 112810893
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(4-bromophenyl)ethanol
CID 114642923
4-(dimethylamino)-1-(2-methylphenyl)butan-2-ol
CID 115345853
2-(4-bromophenyl)-1-fluoroethanol
CID 163366125
1-(4-bromophenyl)-3,3-dimethylbutan-2-ol
CID 60798446

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-(dimethylamino)butan-2-ol?
The IUPAC name of 1-(4-bromophenyl)-4-(dimethylamino)butan-2-ol (CID 115346011) is 1-(4-bromophenyl)-4-(dimethylamino)butan-2-ol.
What is the SMILES notation for 1-(4-bromophenyl)-4-(dimethylamino)butan-2-ol?
The canonical SMILES for 1-(4-bromophenyl)-4-(dimethylamino)butan-2-ol is CN(C)CCC(O)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-4-(dimethylamino)butan-2-ol?
The InChIKey is DHPSQYHMIBFEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-14(2)8-7-12(15)9-10-3-5-11(13)6-4-10/h3-6,12,15H,7-9H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-4-(dimethylamino)butan-2-ol?
1-(4-bromophenyl)-4-(dimethylamino)butan-2-ol has a molecular weight of 272.19 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-(dimethylamino)butan-2-ol is sourced from PubChem (CID 115346011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).