N'-(3-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine

C17H23N3O — CID 79262673

IUPACN'-(3-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
SMILESCOc1cccc(N(CCCN)Cc2cccc(C)n2)c1
InChIInChI=1S/C17H23N3O/c1-14-6-3-7-15(19-14)13-20(11-5-10-18)16-8-4-9-17(12-16)21-2/h3-4,6-9,12H,5,10-11,13,18H2,1-2H3
InChIKeyHMGDMCVBHHJSSJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.75
Rot. Bonds7

About N'-(3-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine

N'-(3-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine (PubChem CID 79262673) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N'-(3-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
PubChem CID79262673
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN'-(3-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
SMILESCOc1cccc(N(CCCN)Cc2cccc(C)n2)c1
InChIInChI=1S/C17H23N3O/c1-14-6-3-7-15(19-14)13-20(11-5-10-18)16-8-4-9-17(12-16)21-2/h3-4,6-9,12H,5,10-11,13,18H2,1-2H3
InChIKeyHMGDMCVBHHJSSJ-UHFFFAOYSA-N
XLogP2.75
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(3-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine
CID 60877179
N'-(2-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79262674
N'-(3-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 28770717
N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79267853
N'-(3-methoxyphenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 64552499
N'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine
CID 28770483
N'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190455
N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43136389
N'-(3-methoxyphenyl)-N'-pyridin-4-ylpropane-1,3-diamine
CID 43319003
N'-(3-methoxyphenyl)-N'-[2-(1-methylimidazol-2-yl)ethyl]propane-1,3-diamine
CID 114527323
N-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 138518668
N'-(5-fluoropyrimidin-2-yl)-N'-(3-methoxyphenyl)propane-1,3-diamine
CID 104606037

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-(3-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine (CID 79262673) is N'-(3-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-(3-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-(3-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine is COc1cccc(N(CCCN)Cc2cccc(C)n2)c1.
What is the InChIKey of N'-(3-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine?
The InChIKey is HMGDMCVBHHJSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-14-6-3-7-15(19-14)13-20(11-5-10-18)16-8-4-9-17(12-16)21-2/h3-4,6-9,12H,5,10-11,13,18H2,1-2H3.
What are the key properties of N'-(3-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine?
N'-(3-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine has a molecular weight of 285.39 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 79262673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).