1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine

C16H26FN3O — CID 60924375

IUPAC1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
SMILESCOc1ccc(C(C)NCCN2CCN(C)CC2)c(F)c1
InChIInChI=1S/C16H26FN3O/c1-13(15-5-4-14(21-3)12-16(15)17)18-6-7-20-10-8-19(2)9-11-20/h4-5,12-13,18H,6-11H2,1-3H3
InChIKeyILFIEHPVIMAOMY-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.73
Rot. Bonds6

About 1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine

1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine (PubChem CID 60924375) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
PubChem CID60924375
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
SMILESCOc1ccc(C(C)NCCN2CCN(C)CC2)c(F)c1
InChIInChI=1S/C16H26FN3O/c1-13(15-5-4-14(21-3)12-16(15)17)18-6-7-20-10-8-19(2)9-11-20/h4-5,12-13,18H,6-11H2,1-3H3
InChIKeyILFIEHPVIMAOMY-UHFFFAOYSA-N
XLogP1.73
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
CID 61240870
N'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine
CID 60894649
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine
CID 43757588
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 62993210
1-(2-fluoro-4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60903726
1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178928
N-[2-(4-chlorophenyl)ethyl]-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43767010
(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906609
4-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-1-methoxybutan-2-ol
CID 103906152
N'-butan-2-yl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 103780751
4-methoxy-2-[1-(2-morpholin-4-ylethylamino)ethyl]phenol
CID 43195506
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 55108756

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine (CID 60924375) is 1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine is COc1ccc(C(C)NCCN2CCN(C)CC2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine?
The InChIKey is ILFIEHPVIMAOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-13(15-5-4-14(21-3)12-16(15)17)18-6-7-20-10-8-19(2)9-11-20/h4-5,12-13,18H,6-11H2,1-3H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine?
1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine has a molecular weight of 295.40 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine is sourced from PubChem (CID 60924375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).