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

C17H27FN2O — CID 61240870

IUPAC1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
SMILESCOc1ccc(C(C)NCCN2CCC(C)CC2)c(F)c1
InChIInChI=1S/C17H27FN2O/c1-13-6-9-20(10-7-13)11-8-19-14(2)16-5-4-15(21-3)12-17(16)18/h4-5,12-14,19H,6-11H2,1-3H3
InChIKeyBHUIYANCSAQFOK-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.22
Rot. Bonds6

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

1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine (PubChem CID 61240870) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
PubChem CID61240870
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
SMILESCOc1ccc(C(C)NCCN2CCC(C)CC2)c(F)c1
InChIInChI=1S/C17H27FN2O/c1-13-6-9-20(10-7-13)11-8-19-14(2)16-5-4-15(21-3)12-17(16)18/h4-5,12-14,19H,6-11H2,1-3H3
InChIKeyBHUIYANCSAQFOK-UHFFFAOYSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 60924375
1-(5-bromo-2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
CID 82963871
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
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115715357
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 81343716
1-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
CID 61240469
1-(2-fluoro-4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60903726
N-[2-(4-chlorophenyl)ethyl]-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43767010
1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178928
(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906609

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine (CID 61240870) is 1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine is COc1ccc(C(C)NCCN2CCC(C)CC2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine?
The InChIKey is BHUIYANCSAQFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-13-6-9-20(10-7-13)11-8-19-14(2)16-5-4-15(21-3)12-17(16)18/h4-5,12-14,19H,6-11H2,1-3H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine?
1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine has a molecular weight of 294.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine is sourced from PubChem (CID 61240870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).