1-(2-methoxy-3-pyridinyl)-N-methyl-4-phenylbutan-1-amine

C17H22N2O — CID 105139852

IUPAC1-(2-methoxy-3-pyridinyl)-N-methyl-4-phenylbutan-1-amine
SMILESCNC(CCCc1ccccc1)c1cccnc1OC
InChIInChI=1S/C17H22N2O/c1-18-16(15-11-7-13-19-17(15)20-2)12-6-10-14-8-4-3-5-9-14/h3-5,7-9,11,13,16,18H,6,10,12H2,1-2H3
InChIKeyIFNBAHYPJITXEO-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.37
Rot. Bonds7

About 1-(2-methoxy-3-pyridinyl)-N-methyl-4-phenylbutan-1-amine

1-(2-methoxy-3-pyridinyl)-N-methyl-4-phenylbutan-1-amine (PubChem CID 105139852) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(2-methoxy-3-pyridinyl)-N-methyl-4-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-3-pyridinyl)-N-methyl-4-phenylbutan-1-amine
PubChem CID105139852
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(2-methoxy-3-pyridinyl)-N-methyl-4-phenylbutan-1-amine
SMILESCNC(CCCc1ccccc1)c1cccnc1OC
InChIInChI=1S/C17H22N2O/c1-18-16(15-11-7-13-19-17(15)20-2)12-6-10-14-8-4-3-5-9-14/h3-5,7-9,11,13,16,18H,6,10,12H2,1-2H3
InChIKeyIFNBAHYPJITXEO-UHFFFAOYSA-N
XLogP3.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-3-pyridinyl)-N-methylpentan-1-amine
CID 105125538
N-ethyl-1-(2-methoxy-3-pyridinyl)-3-phenylpropan-1-amine
CID 105094165
4-ethylsulfonyl-1-(2-methoxy-3-pyridinyl)-N-methylbutan-1-amine
CID 105152636
1-(2-methoxy-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029786
[1-(3-methoxypyrazin-2-yl)-4-phenylbutyl]hydrazine
CID 105332694
1-(2-methoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine
CID 105093271
2-(4-iodophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
CID 105151971
2-(4-chlorophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
CID 105085579
N-methyl-1-(2-methylsulfanylphenyl)-4-phenylbutan-1-amine
CID 115849651
1-(4-bromo-2-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849428
2-(furan-2-yl)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
CID 105177427
(1R)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
CID 55276659

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pyridinyl)-N-methyl-4-phenylbutan-1-amine?
The IUPAC name of 1-(2-methoxy-3-pyridinyl)-N-methyl-4-phenylbutan-1-amine (CID 105139852) is 1-(2-methoxy-3-pyridinyl)-N-methyl-4-phenylbutan-1-amine.
What is the SMILES notation for 1-(2-methoxy-3-pyridinyl)-N-methyl-4-phenylbutan-1-amine?
The canonical SMILES for 1-(2-methoxy-3-pyridinyl)-N-methyl-4-phenylbutan-1-amine is CNC(CCCc1ccccc1)c1cccnc1OC.
What is the InChIKey of 1-(2-methoxy-3-pyridinyl)-N-methyl-4-phenylbutan-1-amine?
The InChIKey is IFNBAHYPJITXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-18-16(15-11-7-13-19-17(15)20-2)12-6-10-14-8-4-3-5-9-14/h3-5,7-9,11,13,16,18H,6,10,12H2,1-2H3.
What are the key properties of 1-(2-methoxy-3-pyridinyl)-N-methyl-4-phenylbutan-1-amine?
1-(2-methoxy-3-pyridinyl)-N-methyl-4-phenylbutan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-pyridinyl)-N-methyl-4-phenylbutan-1-amine is sourced from PubChem (CID 105139852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).