1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine

C17H22N2O2 — CID 105025977

IUPAC1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(NC)c2cncc(OC)c2)c1
InChIInChI=1S/C17H22N2O2/c1-4-8-21-15-7-5-6-13(9-15)17(18-2)14-10-16(20-3)12-19-11-14/h5-7,9-12,17-18H,4,8H2,1-3H3
InChIKeyLMHSZMNFAMCJOU-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.19
Rot. Bonds7

About 1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine

1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine (PubChem CID 105025977) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine.

Molecular Properties

Compound Name1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine
PubChem CID105025977
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(NC)c2cncc(OC)c2)c1
InChIInChI=1S/C17H22N2O2/c1-4-8-21-15-7-5-6-13(9-15)17(18-2)14-10-16(20-3)12-19-11-14/h5-7,9-12,17-18H,4,8H2,1-3H3
InChIKeyLMHSZMNFAMCJOU-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-(3,4-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026781
1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 62919848
1-(5-fluoro-3-pyridinyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 54967829
1-(3,5-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026730
1-(6-methoxypyridazin-3-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 103374212
1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026931
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 107561661
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 79723526
1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 60819656
[(3-chlorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105194775
[(3-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105193158
1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026800

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine?
The IUPAC name of 1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine (CID 105025977) is 1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine.
What is the SMILES notation for 1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine?
The canonical SMILES for 1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine is CCCOc1cccc(C(NC)c2cncc(OC)c2)c1.
What is the InChIKey of 1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine?
The InChIKey is LMHSZMNFAMCJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-8-21-15-7-5-6-13(9-15)17(18-2)14-10-16(20-3)12-19-11-14/h5-7,9-12,17-18H,4,8H2,1-3H3.
What are the key properties of 1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine?
1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-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-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine is sourced from PubChem (CID 105025977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).