1-[2-[3-(dimethylamino)propyl-methylamino]-5-fluorophenyl]ethanone

C14H21FN2O — CID 63694387

IUPAC1-[2-[3-(dimethylamino)propyl-methylamino]-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1N(C)CCCN(C)C
InChIInChI=1S/C14H21FN2O/c1-11(18)13-10-12(15)6-7-14(13)17(4)9-5-8-16(2)3/h6-7,10H,5,8-9H2,1-4H3
InChIKeyWRNTTYYGFXKWEQ-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.42
Rot. Bonds6

About 1-[2-[3-(dimethylamino)propyl-methylamino]-5-fluorophenyl]ethanone

1-[2-[3-(dimethylamino)propyl-methylamino]-5-fluorophenyl]ethanone (PubChem CID 63694387) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[2-[3-(dimethylamino)propyl-methylamino]-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[3-(dimethylamino)propyl-methylamino]-5-fluorophenyl]ethanone
PubChem CID63694387
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[2-[3-(dimethylamino)propyl-methylamino]-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1N(C)CCCN(C)C
InChIInChI=1S/C14H21FN2O/c1-11(18)13-10-12(15)6-7-14(13)17(4)9-5-8-16(2)3/h6-7,10H,5,8-9H2,1-4H3
InChIKeyWRNTTYYGFXKWEQ-UHFFFAOYSA-N
XLogP2.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(dimethylamino)propyl-methylamino]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77017330
1-[2-[2-ethoxyethyl(methyl)amino]-5-fluorophenyl]ethanone
CID 81056093
4-acetyl-3-[3-(dimethylamino)propyl-methylamino]benzonitrile
CID 113372787
1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]-5-fluorophenyl]ethanone
CID 54982109
2-[(3-amino-4-methylpentyl)-methylamino]-5-fluorobenzamide
CID 115318269
1-[2-(N-butylanilino)-5-fluorophenyl]ethanone
CID 64584619
methyl 3-(2-carbamothioyl-4-fluoro-N-methylanilino)propanoate
CID 63672514
3-[N-[3-(dimethylamino)propyl]-2,4-difluoroanilino]propanoic acid
CID 82320002
2-(2-carbamothioyl-4-fluoro-N-methylanilino)acetamide
CID 63672665
5-fluoro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid
CID 63207861
1-[5-bromo-2-[methyl(propyl)amino]phenyl]ethanone
CID 82967352
1-[2-[cyclohexyl(methyl)amino]-5-fluorophenyl]ethanone
CID 43176961

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(dimethylamino)propyl-methylamino]-5-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[3-(dimethylamino)propyl-methylamino]-5-fluorophenyl]ethanone (CID 63694387) is 1-[2-[3-(dimethylamino)propyl-methylamino]-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[3-(dimethylamino)propyl-methylamino]-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[3-(dimethylamino)propyl-methylamino]-5-fluorophenyl]ethanone is CC(=O)c1cc(F)ccc1N(C)CCCN(C)C.
What is the InChIKey of 1-[2-[3-(dimethylamino)propyl-methylamino]-5-fluorophenyl]ethanone?
The InChIKey is WRNTTYYGFXKWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-11(18)13-10-12(15)6-7-14(13)17(4)9-5-8-16(2)3/h6-7,10H,5,8-9H2,1-4H3.
What are the key properties of 1-[2-[3-(dimethylamino)propyl-methylamino]-5-fluorophenyl]ethanone?
1-[2-[3-(dimethylamino)propyl-methylamino]-5-fluorophenyl]ethanone has a molecular weight of 252.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(dimethylamino)propyl-methylamino]-5-fluorophenyl]ethanone is sourced from PubChem (CID 63694387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).