1-(2-methoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine

C16H20N2O — CID 105093271

IUPAC1-(2-methoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine
SMILESCNC(CCc1ccncc1)c1ccccc1OC
InChIInChI=1S/C16H20N2O/c1-17-15(8-7-13-9-11-18-12-10-13)14-5-3-4-6-16(14)19-2/h3-6,9-12,15,17H,7-8H2,1-2H3
InChIKeyUOCIHQORENLPCD-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.98
Rot. Bonds6

About 1-(2-methoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine

1-(2-methoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine (PubChem CID 105093271) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine
PubChem CID105093271
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(2-methoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine
SMILESCNC(CCc1ccncc1)c1ccccc1OC
InChIInChI=1S/C16H20N2O/c1-17-15(8-7-13-9-11-18-12-10-13)14-5-3-4-6-16(14)19-2/h3-6,9-12,15,17H,7-8H2,1-2H3
InChIKeyUOCIHQORENLPCD-UHFFFAOYSA-N
XLogP2.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine
CID 105179029
1-(2,3-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 105094223
1-(2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529894
[1-(2-propan-2-yloxyphenyl)-3-pyridin-4-ylpropyl]hydrazine
CID 105326176
1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941073
1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43483666
N-methyl-1-(4-methyl-3-pyridinyl)-3-pyridin-4-ylpropan-1-amine
CID 105164185
1-(2-methoxy-3-pyridinyl)-N-methyl-4-phenylbutan-1-amine
CID 105139852
1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289
N-[1-(2-methoxyphenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62551587
1-(2-methoxyphenyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 60819715
1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105093570

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine (CID 105093271) is 1-(2-methoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine is CNC(CCc1ccncc1)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine?
The InChIKey is UOCIHQORENLPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-17-15(8-7-13-9-11-18-12-10-13)14-5-3-4-6-16(14)19-2/h3-6,9-12,15,17H,7-8H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine?
1-(2-methoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 105093271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).