[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-(3-fluoro-4-hydroxyphenyl)methanone

C19H23FN2O2 — CID 90671407

IUPAC[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-(3-fluoro-4-hydroxyphenyl)methanone
SMILESCN(C)CCN(C)Cc1ccc(C(=O)c2ccc(O)c(F)c2)cc1
InChIInChI=1S/C19H23FN2O2/c1-21(2)10-11-22(3)13-14-4-6-15(7-5-14)19(24)16-8-9-18(23)17(20)12-16/h4-9,12,23H,10-11,13H2,1-3H3
InChIKeyUTCRXXUTVMPGTI-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.76
Rot. Bonds7

About [4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-(3-fluoro-4-hydroxyphenyl)methanone

[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-(3-fluoro-4-hydroxyphenyl)methanone (PubChem CID 90671407) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is [4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-(3-fluoro-4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-(3-fluoro-4-hydroxyphenyl)methanone
PubChem CID90671407
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-(3-fluoro-4-hydroxyphenyl)methanone
SMILESCN(C)CCN(C)Cc1ccc(C(=O)c2ccc(O)c(F)c2)cc1
InChIInChI=1S/C19H23FN2O2/c1-21(2)10-11-22(3)13-14-4-6-15(7-5-14)19(24)16-8-9-18(23)17(20)12-16/h4-9,12,23H,10-11,13H2,1-3H3
InChIKeyUTCRXXUTVMPGTI-UHFFFAOYSA-N
XLogP2.76
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
CID 82981146
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 60649629
2-[2-(dimethylamino)ethyl-methylamino]-1-(4-ethylphenyl)ethanone
CID 63699353
[4-[7-(dimethylamino)heptyl]phenyl]-(4-fluorophenyl)methanone
CID 19883676
(3-fluoro-4-hydroxyphenyl)-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methanone
CID 90671403
N,N,N'-trimethyl-N'-[(4-methylsulfanylphenyl)methyl]ethane-1,2-diamine
CID 30326989
2-[(3-fluoro-4-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 107694011
4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzenecarboximidamide
CID 63693518
3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 62612670
(4-fluorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone
CID 54007184
3-fluoro-4-hydroxy-N-methyl-N-octylbenzamide
CID 175536796
4-[[(5-chloro-2-hydroxyphenyl)methyl-methylamino]methyl]benzoic acid
CID 65051860

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-(3-fluoro-4-hydroxyphenyl)methanone?
The IUPAC name of [4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-(3-fluoro-4-hydroxyphenyl)methanone (CID 90671407) is [4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-(3-fluoro-4-hydroxyphenyl)methanone.
What is the SMILES notation for [4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-(3-fluoro-4-hydroxyphenyl)methanone?
The canonical SMILES for [4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-(3-fluoro-4-hydroxyphenyl)methanone is CN(C)CCN(C)Cc1ccc(C(=O)c2ccc(O)c(F)c2)cc1.
What is the InChIKey of [4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-(3-fluoro-4-hydroxyphenyl)methanone?
The InChIKey is UTCRXXUTVMPGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-21(2)10-11-22(3)13-14-4-6-15(7-5-14)19(24)16-8-9-18(23)17(20)12-16/h4-9,12,23H,10-11,13H2,1-3H3.
What are the key properties of [4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-(3-fluoro-4-hydroxyphenyl)methanone?
[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-(3-fluoro-4-hydroxyphenyl)methanone has a molecular weight of 330.40 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-(3-fluoro-4-hydroxyphenyl)methanone is sourced from PubChem (CID 90671407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).