(2-bromophenyl)-[4-(dimethylamino)phenyl]methanol

C15H16BrNO — CID 118122372

IUPAC(2-bromophenyl)-[4-(dimethylamino)phenyl]methanol
SMILESCN(C)c1ccc(C(O)c2ccccc2Br)cc1
InChIInChI=1S/C15H16BrNO/c1-17(2)12-9-7-11(8-10-12)15(18)13-5-3-4-6-14(13)16/h3-10,15,18H,1-2H3
InChIKeyROICYHWVAFLDRZ-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.60
Rot. Bonds3

About (2-bromophenyl)-[4-(dimethylamino)phenyl]methanol

(2-bromophenyl)-[4-(dimethylamino)phenyl]methanol (PubChem CID 118122372) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is (2-bromophenyl)-[4-(dimethylamino)phenyl]methanol.

Molecular Properties

Compound Name(2-bromophenyl)-[4-(dimethylamino)phenyl]methanol
PubChem CID118122372
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name(2-bromophenyl)-[4-(dimethylamino)phenyl]methanol
SMILESCN(C)c1ccc(C(O)c2ccccc2Br)cc1
InChIInChI=1S/C15H16BrNO/c1-17(2)12-9-7-11(8-10-12)15(18)13-5-3-4-6-14(13)16/h3-10,15,18H,1-2H3
InChIKeyROICYHWVAFLDRZ-UHFFFAOYSA-N
XLogP3.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(2-bromophenyl)-(4-propan-2-ylphenyl)methanol
CID 61083322
(4-bromothiophen-3-yl)-[4-(dimethylamino)phenyl]methanol
CID 79595156
[4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanol
CID 44580866
[4-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol
CID 82805394
1-benzothiophen-7-yl-[4-(dimethylamino)phenyl]methanol
CID 81141860
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanol
CID 79746626
(2-bromophenyl)-(3,4-diethylphenyl)methanol
CID 115482670
(R)-(2-bromophenyl)-(3,5-dichlorophenyl)methanol
CID 97293471
(2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol
CID 63895776
(S)-[4-(dimethylamino)phenyl]-pyridin-2-ylmethanol
CID 10680871
[4-(dimethylamino)phenyl]-isoquinolin-5-ylmethanol
CID 63895218
(R)-[4-(dimethylamino)phenyl]-thiophen-2-ylmethanol
CID 686964

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[4-(dimethylamino)phenyl]methanol?
The IUPAC name of (2-bromophenyl)-[4-(dimethylamino)phenyl]methanol (CID 118122372) is (2-bromophenyl)-[4-(dimethylamino)phenyl]methanol.
What is the SMILES notation for (2-bromophenyl)-[4-(dimethylamino)phenyl]methanol?
The canonical SMILES for (2-bromophenyl)-[4-(dimethylamino)phenyl]methanol is CN(C)c1ccc(C(O)c2ccccc2Br)cc1.
What is the InChIKey of (2-bromophenyl)-[4-(dimethylamino)phenyl]methanol?
The InChIKey is ROICYHWVAFLDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-17(2)12-9-7-11(8-10-12)15(18)13-5-3-4-6-14(13)16/h3-10,15,18H,1-2H3.
What are the key properties of (2-bromophenyl)-[4-(dimethylamino)phenyl]methanol?
(2-bromophenyl)-[4-(dimethylamino)phenyl]methanol has a molecular weight of 306.20 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[4-(dimethylamino)phenyl]methanol is sourced from PubChem (CID 118122372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).