1-(3-methoxy-4-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine

C17H22N2O2 — CID 105065538

IUPAC1-(3-methoxy-4-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(NC)c2ccncc2OC)cc1
InChIInChI=1S/C17H22N2O2/c1-4-11-21-14-7-5-13(6-8-14)17(18-2)15-9-10-19-12-16(15)20-3/h5-10,12,17-18H,4,11H2,1-3H3
InChIKeyLZIFIVUYMXJXPO-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.19
Rot. Bonds7

About 1-(3-methoxy-4-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine

1-(3-methoxy-4-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine (PubChem CID 105065538) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(3-methoxy-4-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine.

Molecular Properties

Compound Name1-(3-methoxy-4-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine
PubChem CID105065538
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(3-methoxy-4-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(NC)c2ccncc2OC)cc1
InChIInChI=1S/C17H22N2O2/c1-4-11-21-14-7-5-13(6-8-14)17(18-2)15-9-10-19-12-16(15)20-3/h5-10,12,17-18H,4,11H2,1-3H3
InChIKeyLZIFIVUYMXJXPO-UHFFFAOYSA-N
XLogP3.19
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065349
[(3-methoxy-4-pyridinyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105330149
1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 105140857
1-(3-methoxy-4-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105065961
1-(3-fluoro-4-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 107130336
1-(3,5-dimethylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065247
1-(2,6-dimethyl-3-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 105144184
N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propoxyphenyl)methanamine
CID 82903609
1-(2,3-dichlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 115853395
1-(3-fluorophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065221
N-methyl-1-(3-methyl-2-pyridinyl)-1-(4-propoxyphenyl)methanamine
CID 62796820
1-(5-chloro-2-methylphenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 115853389

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine?
The IUPAC name of 1-(3-methoxy-4-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine (CID 105065538) is 1-(3-methoxy-4-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine.
What is the SMILES notation for 1-(3-methoxy-4-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine?
The canonical SMILES for 1-(3-methoxy-4-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine is CCCOc1ccc(C(NC)c2ccncc2OC)cc1.
What is the InChIKey of 1-(3-methoxy-4-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine?
The InChIKey is LZIFIVUYMXJXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-11-21-14-7-5-13(6-8-14)17(18-2)15-9-10-19-12-16(15)20-3/h5-10,12,17-18H,4,11H2,1-3H3.
What are the key properties of 1-(3-methoxy-4-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine?
1-(3-methoxy-4-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine has a molecular weight of 286.38 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine is sourced from PubChem (CID 105065538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).