2-[3-(dimethylamino)propyl-methylamino]-1-(3-fluoro-4-methoxyphenyl)ethanone

C15H23FN2O2 — CID 63700928

IUPAC2-[3-(dimethylamino)propyl-methylamino]-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN(C)CCCN(C)C)cc1F
InChIInChI=1S/C15H23FN2O2/c1-17(2)8-5-9-18(3)11-14(19)12-6-7-15(20-4)13(16)10-12/h6-7,10H,5,8-9,11H2,1-4H3
InChIKeyQNCVXTCMMZZIAV-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.90
Rot. Bonds8

About 2-[3-(dimethylamino)propyl-methylamino]-1-(3-fluoro-4-methoxyphenyl)ethanone

2-[3-(dimethylamino)propyl-methylamino]-1-(3-fluoro-4-methoxyphenyl)ethanone (PubChem CID 63700928) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl-methylamino]-1-(3-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl-methylamino]-1-(3-fluoro-4-methoxyphenyl)ethanone
PubChem CID63700928
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-[3-(dimethylamino)propyl-methylamino]-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN(C)CCCN(C)C)cc1F
InChIInChI=1S/C15H23FN2O2/c1-17(2)8-5-9-18(3)11-14(19)12-6-7-15(20-4)13(16)10-12/h6-7,10H,5,8-9,11H2,1-4H3
InChIKeyQNCVXTCMMZZIAV-UHFFFAOYSA-N
XLogP1.90
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butyl(methyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43227810
2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 14471317
1-(3-fluoro-4-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
CID 61452057
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 55130619
2-[butan-2-yl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43795984
1-(3-bromo-4-methoxyphenyl)-2-[methyl(3-methylsulfanylpropyl)amino]ethanone
CID 114237489
5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
CID 116571948
1-(3-fluoro-4-methoxyphenyl)undecan-1-one
CID 22446418
6-amino-1-(3-fluoro-4-methoxyphenyl)hexan-1-one
CID 116549979
1-(3-fluoro-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone
CID 62053535
methyl 4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoate
CID 65096259

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl-methylamino]-1-(3-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-[3-(dimethylamino)propyl-methylamino]-1-(3-fluoro-4-methoxyphenyl)ethanone (CID 63700928) is 2-[3-(dimethylamino)propyl-methylamino]-1-(3-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[3-(dimethylamino)propyl-methylamino]-1-(3-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[3-(dimethylamino)propyl-methylamino]-1-(3-fluoro-4-methoxyphenyl)ethanone is COc1ccc(C(=O)CN(C)CCCN(C)C)cc1F.
What is the InChIKey of 2-[3-(dimethylamino)propyl-methylamino]-1-(3-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is QNCVXTCMMZZIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-17(2)8-5-9-18(3)11-14(19)12-6-7-15(20-4)13(16)10-12/h6-7,10H,5,8-9,11H2,1-4H3.
What are the key properties of 2-[3-(dimethylamino)propyl-methylamino]-1-(3-fluoro-4-methoxyphenyl)ethanone?
2-[3-(dimethylamino)propyl-methylamino]-1-(3-fluoro-4-methoxyphenyl)ethanone has a molecular weight of 282.36 g/mol, XLogP of 1.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl-methylamino]-1-(3-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 63700928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).