(2,3-difluoro-4-methylphenyl)-[3-(dimethylamino)phenyl]methanol

C16H17F2NO — CID 107516253

IUPAC(2,3-difluoro-4-methylphenyl)-[3-(dimethylamino)phenyl]methanol
SMILESCc1ccc(C(O)c2cccc(N(C)C)c2)c(F)c1F
InChIInChI=1S/C16H17F2NO/c1-10-7-8-13(15(18)14(10)17)16(20)11-5-4-6-12(9-11)19(2)3/h4-9,16,20H,1-3H3
InChIKeyRULSIABRQWLHMY-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.42
Rot. Bonds3

About (2,3-difluoro-4-methylphenyl)-[3-(dimethylamino)phenyl]methanol

(2,3-difluoro-4-methylphenyl)-[3-(dimethylamino)phenyl]methanol (PubChem CID 107516253) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-[3-(dimethylamino)phenyl]methanol.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-[3-(dimethylamino)phenyl]methanol
PubChem CID107516253
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name(2,3-difluoro-4-methylphenyl)-[3-(dimethylamino)phenyl]methanol
SMILESCc1ccc(C(O)c2cccc(N(C)C)c2)c(F)c1F
InChIInChI=1S/C16H17F2NO/c1-10-7-8-13(15(18)14(10)17)16(20)11-5-4-6-12(9-11)19(2)3/h4-9,16,20H,1-3H3
InChIKeyRULSIABRQWLHMY-UHFFFAOYSA-N
XLogP3.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(dimethylamino)phenyl]-(3-fluoro-4-methylphenyl)methanol
CID 107130688
[3-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol
CID 105120885
[3-(dimethylamino)phenyl]-(2-fluoro-5-methylphenyl)methanol
CID 105094125
(3-cyclopropylphenyl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107512296
(5-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanol
CID 105113633
(2,5-dichlorophenyl)-[3-(dimethylamino)phenyl]methanol
CID 105093347
(2-fluoro-3-methylphenyl)-(3-fluorophenyl)methanol
CID 114978614
(2,3-difluoro-4-methylphenyl)-quinolin-6-ylmethanol
CID 107512228
[3-(dimethylamino)phenyl]-quinolin-8-ylmethanol
CID 105118763
(2,3-difluoro-4-methylphenyl)-(5-fluoro-3-pyridinyl)methanol
CID 107516186
(3,5-dimethoxyphenyl)-[3-(dimethylamino)phenyl]methanol
CID 105114451
1-[3-(dimethylamino)phenyl]-2,2-dimethylpropan-1-ol
CID 105096689

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-[3-(dimethylamino)phenyl]methanol?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-[3-(dimethylamino)phenyl]methanol (CID 107516253) is (2,3-difluoro-4-methylphenyl)-[3-(dimethylamino)phenyl]methanol.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-[3-(dimethylamino)phenyl]methanol?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-[3-(dimethylamino)phenyl]methanol is Cc1ccc(C(O)c2cccc(N(C)C)c2)c(F)c1F.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-[3-(dimethylamino)phenyl]methanol?
The InChIKey is RULSIABRQWLHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-10-7-8-13(15(18)14(10)17)16(20)11-5-4-6-12(9-11)19(2)3/h4-9,16,20H,1-3H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-[3-(dimethylamino)phenyl]methanol?
(2,3-difluoro-4-methylphenyl)-[3-(dimethylamino)phenyl]methanol has a molecular weight of 277.31 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl)-[3-(dimethylamino)phenyl]methanol is sourced from PubChem (CID 107516253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).