3-[3-(3,4-difluorophenyl)-2-(dimethylamino)propyl]phenol

C17H19F2NO — CID 174454339

IUPAC3-[3-(3,4-difluorophenyl)-2-(dimethylamino)propyl]phenol
SMILESCN(C)C(Cc1cccc(O)c1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C17H19F2NO/c1-20(2)14(8-12-4-3-5-15(21)10-12)9-13-6-7-16(18)17(19)11-13/h3-7,10-11,14,21H,8-9H2,1-2H3
InChIKeyZNSFSKWJSMFAQE-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.39
Rot. Bonds5

About 3-[3-(3,4-difluorophenyl)-2-(dimethylamino)propyl]phenol

3-[3-(3,4-difluorophenyl)-2-(dimethylamino)propyl]phenol (PubChem CID 174454339) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 3-[3-(3,4-difluorophenyl)-2-(dimethylamino)propyl]phenol.

Molecular Properties

Compound Name3-[3-(3,4-difluorophenyl)-2-(dimethylamino)propyl]phenol
PubChem CID174454339
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name3-[3-(3,4-difluorophenyl)-2-(dimethylamino)propyl]phenol
SMILESCN(C)C(Cc1cccc(O)c1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C17H19F2NO/c1-20(2)14(8-12-4-3-5-15(21)10-12)9-13-6-7-16(18)17(19)11-13/h3-7,10-11,14,21H,8-9H2,1-2H3
InChIKeyZNSFSKWJSMFAQE-UHFFFAOYSA-N
XLogP3.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-difluorophenyl)-2-(dimethylamino)-1-(3-hydroxyphenyl)propan-1-one
CID 172791877
2-[(3,4-difluorophenyl)methyl]-3-(dimethylamino)-1-(3-hydroxyphenyl)propan-1-one
CID 18767233
3-[1-(dimethylamino)-2-(8-fluoronaphthalen-2-yl)ethyl]phenol;hydrochloride
CID 139758183
3-(2-sulfanylpropyl)phenol
CID 115013475
1,2-difluoro-4-(2-isocyanobutyl)benzene
CID 176776859
3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428
3-(2-fluoro-3-hydroxypropyl)phenol
CID 105434418
3-(3-hydroxy-2-methylpentyl)phenol
CID 19426978
3-[(2-fluoro-N-methylanilino)methyl]phenol
CID 82978376
3-[1-(3,4-difluorophenyl)propan-2-yl-methylamino]propanoic acid
CID 84750047
3-[3-(hydroxymethyl)-4-(3-hydroxyphenyl)-2-methylbutyl]phenol
CID 142337153
1,2-difluoro-4-(2-methylpentyl)benzene
CID 143267689

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-difluorophenyl)-2-(dimethylamino)propyl]phenol?
The IUPAC name of 3-[3-(3,4-difluorophenyl)-2-(dimethylamino)propyl]phenol (CID 174454339) is 3-[3-(3,4-difluorophenyl)-2-(dimethylamino)propyl]phenol.
What is the SMILES notation for 3-[3-(3,4-difluorophenyl)-2-(dimethylamino)propyl]phenol?
The canonical SMILES for 3-[3-(3,4-difluorophenyl)-2-(dimethylamino)propyl]phenol is CN(C)C(Cc1cccc(O)c1)Cc1ccc(F)c(F)c1.
What is the InChIKey of 3-[3-(3,4-difluorophenyl)-2-(dimethylamino)propyl]phenol?
The InChIKey is ZNSFSKWJSMFAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-20(2)14(8-12-4-3-5-15(21)10-12)9-13-6-7-16(18)17(19)11-13/h3-7,10-11,14,21H,8-9H2,1-2H3.
What are the key properties of 3-[3-(3,4-difluorophenyl)-2-(dimethylamino)propyl]phenol?
3-[3-(3,4-difluorophenyl)-2-(dimethylamino)propyl]phenol has a molecular weight of 291.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-difluorophenyl)-2-(dimethylamino)propyl]phenol is sourced from PubChem (CID 174454339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).