(5-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanol

C15H15BrFNO — CID 105113633

IUPAC(5-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanol
SMILESCN(C)c1cccc(C(O)c2cc(Br)ccc2F)c1
InChIInChI=1S/C15H15BrFNO/c1-18(2)12-5-3-4-10(8-12)15(19)13-9-11(16)6-7-14(13)17/h3-9,15,19H,1-2H3
InChIKeyFXFMKPFRHGQLIC-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.74
Rot. Bonds3

About (5-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanol

(5-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanol (PubChem CID 105113633) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanol
PubChem CID105113633
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name(5-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanol
SMILESCN(C)c1cccc(C(O)c2cc(Br)ccc2F)c1
InChIInChI=1S/C15H15BrFNO/c1-18(2)12-5-3-4-10(8-12)15(19)13-9-11(16)6-7-14(13)17/h3-9,15,19H,1-2H3
InChIKeyFXFMKPFRHGQLIC-UHFFFAOYSA-N
XLogP3.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(dimethylamino)phenyl]-(2-fluoro-5-methylphenyl)methanol
CID 105094125
(5-bromo-2-fluorophenyl)-(3-fluorophenyl)methanol
CID 63893368
(5-bromo-2-fluorophenyl)-(3-propylphenyl)methanol
CID 116542464
[3-(dimethylamino)phenyl]-(3-fluoro-4-methylphenyl)methanol
CID 107130688
(2,5-dichlorophenyl)-[3-(dimethylamino)phenyl]methanol
CID 105093347
(2,3-difluoro-4-methylphenyl)-[3-(dimethylamino)phenyl]methanol
CID 107516253
(5-bromo-2-fluorophenyl)-(4-bromo-3-methylphenyl)methanol
CID 81447497
(5-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 63894130
[3-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol
CID 105120885
3-[1-amino-2-(4-bromo-2-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105137133
4-[amino-(5-bromo-2-fluorophenyl)methyl]-N,N-dimethylaniline
CID 105167442
(5-bromo-2-fluorophenyl)-(2-methylphenyl)methanol
CID 63894128

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanol?
The IUPAC name of (5-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanol (CID 105113633) is (5-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanol?
The canonical SMILES for (5-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanol is CN(C)c1cccc(C(O)c2cc(Br)ccc2F)c1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanol?
The InChIKey is FXFMKPFRHGQLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-18(2)12-5-3-4-10(8-12)15(19)13-9-11(16)6-7-14(13)17/h3-9,15,19H,1-2H3.
What are the key properties of (5-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanol?
(5-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanol has a molecular weight of 324.19 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanol is sourced from PubChem (CID 105113633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).