2-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1-(3-hydroxyphenyl)propan-1-one;hydrochloride

C18H21ClFNO2 — CID 18767296

IUPAC2-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1-(3-hydroxyphenyl)propan-1-one;hydrochloride
SMILESCN(C)CC(Cc1ccc(F)cc1)C(=O)c1cccc(O)c1.Cl
InChIInChI=1S/C18H20FNO2.ClH/c1-20(2)12-15(10-13-6-8-16(19)9-7-13)18(22)14-4-3-5-17(21)11-14;/h3-9,11,15,21H,10,12H2,1-2H3;1H
InChIKeyJDQSJOXCGNXNNX-UHFFFAOYSA-N
MW337.82 g/mol
LogP3.56
Rot. Bonds6

About 2-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1-(3-hydroxyphenyl)propan-1-one;hydrochloride

2-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1-(3-hydroxyphenyl)propan-1-one;hydrochloride (PubChem CID 18767296) has the molecular formula C18H21ClFNO2 and a molecular weight of 337.82 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1-(3-hydroxyphenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1-(3-hydroxyphenyl)propan-1-one;hydrochloride
PubChem CID18767296
Molecular FormulaC18H21ClFNO2
Molecular Weight337.82 g/mol
Exact Mass337.12
IUPAC Name2-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1-(3-hydroxyphenyl)propan-1-one;hydrochloride
SMILESCN(C)CC(Cc1ccc(F)cc1)C(=O)c1cccc(O)c1.Cl
InChIInChI=1S/C18H20FNO2.ClH/c1-20(2)12-15(10-13-6-8-16(19)9-7-13)18(22)14-4-3-5-17(21)11-14;/h3-9,11,15,21H,10,12H2,1-2H3;1H
InChIKeyJDQSJOXCGNXNNX-UHFFFAOYSA-N
XLogP3.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.82
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-difluorophenyl)methyl]-3-(dimethylamino)-1-(3-hydroxyphenyl)propan-1-one
CID 18767233
(2R)-2-benzyl-3-(dimethylamino)-1-phenylpropan-1-one
CID 97356031
(2S)-2-[(3,4-difluorophenyl)methyl]-3-(dimethylamino)-1-(3-methoxyphenyl)propan-1-one;hydrochloride
CID 70009309
3-[(E)-4-benzyl-5-(dimethylamino)pent-2-en-3-yl]phenol
CID 174432305
2-benzyl-3-(dimethylamino)-1-naphthalen-2-ylpropan-1-one;hydrochloride
CID 18767247
3-(3,4-difluorophenyl)-2-(dimethylamino)-1-(3-hydroxyphenyl)propan-1-one
CID 172791877
2-[(3,4-dimethoxyphenyl)methyl]-3-(dimethylamino)-1-phenylpropan-1-one
CID 117067752
1-(3-hydroxyphenyl)-2-(methylamino)-3-phenylpropan-1-one
CID 56974178
3-[(E)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenol;hydrochloride
CID 18974528
2-amino-1-(3-hydroxyphenyl)propan-1-one;hydrochloride
CID 22601034
N-[1-(4-fluorophenyl)propan-2-yl]-3-hydroxybenzenesulfonamide
CID 81265120
2,4-dihydroxy-1-(3-hydroxyphenyl)butan-1-one
CID 22382756

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1-(3-hydroxyphenyl)propan-1-one;hydrochloride?
The IUPAC name of 2-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1-(3-hydroxyphenyl)propan-1-one;hydrochloride (CID 18767296) is 2-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1-(3-hydroxyphenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1-(3-hydroxyphenyl)propan-1-one;hydrochloride?
The canonical SMILES for 2-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1-(3-hydroxyphenyl)propan-1-one;hydrochloride is CN(C)CC(Cc1ccc(F)cc1)C(=O)c1cccc(O)c1.Cl.
What is the InChIKey of 2-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1-(3-hydroxyphenyl)propan-1-one;hydrochloride?
The InChIKey is JDQSJOXCGNXNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2.ClH/c1-20(2)12-15(10-13-6-8-16(19)9-7-13)18(22)14-4-3-5-17(21)11-14;/h3-9,11,15,21H,10,12H2,1-2H3;1H.
What are the key properties of 2-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1-(3-hydroxyphenyl)propan-1-one;hydrochloride?
2-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1-(3-hydroxyphenyl)propan-1-one;hydrochloride has a molecular weight of 337.82 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1-(3-hydroxyphenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 18767296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).