N-[[3-fluoro-5-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine

C16H25FN2O — CID 106533076

IUPACN-[[3-fluoro-5-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)cc(N2CCC(C)C(OC)C2)c1
InChIInChI=1S/C16H25FN2O/c1-4-18-10-13-7-14(17)9-15(8-13)19-6-5-12(2)16(11-19)20-3/h7-9,12,16,18H,4-6,10-11H2,1-3H3
InChIKeyZCWBXFQRNMLDLE-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.80
Rot. Bonds5

About N-[[3-fluoro-5-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine

N-[[3-fluoro-5-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine (PubChem CID 106533076) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[[3-fluoro-5-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-5-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
PubChem CID106533076
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-[[3-fluoro-5-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)cc(N2CCC(C)C(OC)C2)c1
InChIInChI=1S/C16H25FN2O/c1-4-18-10-13-7-14(17)9-15(8-13)19-6-5-12(2)16(11-19)20-3/h7-9,12,16,18H,4-6,10-11H2,1-3H3
InChIKeyZCWBXFQRNMLDLE-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-fluoro-5-(3-methoxypiperidin-1-yl)phenyl]methyl]ethanamine
CID 106533080
N-[[3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 102961339
N-[[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]ethanamine
CID 106532936
N-[[3-(8-azaspiro[4.5]decan-8-yl)-5-fluorophenyl]methyl]ethanamine
CID 106532441
N-[[6-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 102967645
N-[[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 102961263
N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 102967913
N-[[4-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 102967603
N-ethyl-1-[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine
CID 102958936
N-[[3-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine
CID 106532067
1-[3-(chloromethyl)-5-fluorophenyl]-3-methoxypiperidine
CID 106530547
N-[[3-fluoro-5-(3-propylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106533016

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-5-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine (CID 106533076) is N-[[3-fluoro-5-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-5-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-5-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine is CCNCc1cc(F)cc(N2CCC(C)C(OC)C2)c1.
What is the InChIKey of N-[[3-fluoro-5-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
The InChIKey is ZCWBXFQRNMLDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-4-18-10-13-7-14(17)9-15(8-13)19-6-5-12(2)16(11-19)20-3/h7-9,12,16,18H,4-6,10-11H2,1-3H3.
What are the key properties of N-[[3-fluoro-5-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
N-[[3-fluoro-5-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine has a molecular weight of 280.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 106533076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).