2-[(3,4-difluorophenyl)methyl]-3-(dimethylamino)-1-(3-hydroxyphenyl)propan-1-one

C18H19F2NO2 — CID 18767233

IUPAC2-[(3,4-difluorophenyl)methyl]-3-(dimethylamino)-1-(3-hydroxyphenyl)propan-1-one
SMILESCN(C)CC(Cc1ccc(F)c(F)c1)C(=O)c1cccc(O)c1
InChIInChI=1S/C18H19F2NO2/c1-21(2)11-14(8-12-6-7-16(19)17(20)9-12)18(23)13-4-3-5-15(22)10-13/h3-7,9-10,14,22H,8,11H2,1-2H3
InChIKeyIGMZXAXLDGHYOZ-UHFFFAOYSA-N
MW319.35 g/mol
LogP3.27
Rot. Bonds6

About 2-[(3,4-difluorophenyl)methyl]-3-(dimethylamino)-1-(3-hydroxyphenyl)propan-1-one

2-[(3,4-difluorophenyl)methyl]-3-(dimethylamino)-1-(3-hydroxyphenyl)propan-1-one (PubChem CID 18767233) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl]-3-(dimethylamino)-1-(3-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl]-3-(dimethylamino)-1-(3-hydroxyphenyl)propan-1-one
PubChem CID18767233
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC Name2-[(3,4-difluorophenyl)methyl]-3-(dimethylamino)-1-(3-hydroxyphenyl)propan-1-one
SMILESCN(C)CC(Cc1ccc(F)c(F)c1)C(=O)c1cccc(O)c1
InChIInChI=1S/C18H19F2NO2/c1-21(2)11-14(8-12-6-7-16(19)17(20)9-12)18(23)13-4-3-5-15(22)10-13/h3-7,9-10,14,22H,8,11H2,1-2H3
InChIKeyIGMZXAXLDGHYOZ-UHFFFAOYSA-N
XLogP3.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1-(3-hydroxyphenyl)propan-1-one;hydrochloride
CID 18767296
(2S)-2-[(3,4-difluorophenyl)methyl]-3-(dimethylamino)-1-(3-methoxyphenyl)propan-1-one;hydrochloride
CID 70009309
3-(3,4-difluorophenyl)-2-(dimethylamino)-1-(3-hydroxyphenyl)propan-1-one
CID 172791877
3-[3-(3,4-difluorophenyl)-2-(dimethylamino)propyl]phenol
CID 174454339
(2R)-2-benzyl-3-(dimethylamino)-1-phenylpropan-1-one
CID 97356031
2-[(3,4-dimethoxyphenyl)methyl]-3-(dimethylamino)-1-phenylpropan-1-one
CID 117067752
2-benzyl-3-(dimethylamino)-1-naphthalen-2-ylpropan-1-one;hydrochloride
CID 18767247
3-[(E)-4-benzyl-5-(dimethylamino)pent-2-en-3-yl]phenol
CID 174432305
2-(aminomethyl)-3-(3,4-difluorophenyl)-N,N-dimethylpropanamide
CID 55034945
3-[(3,4-difluorophenyl)methyl]-5-hydroxypentan-2-one
CID 103343871
1-(3-hydroxyphenyl)-2,2-dimethoxyethanone
CID 19101529
4-(3,4-difluorophenyl)-3-methylbutanoic acid
CID 82935908

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl]-3-(dimethylamino)-1-(3-hydroxyphenyl)propan-1-one?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl]-3-(dimethylamino)-1-(3-hydroxyphenyl)propan-1-one (CID 18767233) is 2-[(3,4-difluorophenyl)methyl]-3-(dimethylamino)-1-(3-hydroxyphenyl)propan-1-one.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl]-3-(dimethylamino)-1-(3-hydroxyphenyl)propan-1-one?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl]-3-(dimethylamino)-1-(3-hydroxyphenyl)propan-1-one is CN(C)CC(Cc1ccc(F)c(F)c1)C(=O)c1cccc(O)c1.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl]-3-(dimethylamino)-1-(3-hydroxyphenyl)propan-1-one?
The InChIKey is IGMZXAXLDGHYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO2/c1-21(2)11-14(8-12-6-7-16(19)17(20)9-12)18(23)13-4-3-5-15(22)10-13/h3-7,9-10,14,22H,8,11H2,1-2H3.
What are the key properties of 2-[(3,4-difluorophenyl)methyl]-3-(dimethylamino)-1-(3-hydroxyphenyl)propan-1-one?
2-[(3,4-difluorophenyl)methyl]-3-(dimethylamino)-1-(3-hydroxyphenyl)propan-1-one has a molecular weight of 319.35 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methyl]-3-(dimethylamino)-1-(3-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 18767233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).