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

C17H23N3O — CID 79262674

IUPACN'-(2-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
SMILESCOc1ccccc1N(CCCN)Cc1cccc(C)n1
InChIInChI=1S/C17H23N3O/c1-14-7-5-8-15(19-14)13-20(12-6-11-18)16-9-3-4-10-17(16)21-2/h3-5,7-10H,6,11-13,18H2,1-2H3
InChIKeyHNIACUOFWTYCLL-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.75
Rot. Bonds7

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

N'-(2-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine (PubChem CID 79262674) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N'-(2-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
PubChem CID79262674
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN'-(2-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
SMILESCOc1ccccc1N(CCCN)Cc1cccc(C)n1
InChIInChI=1S/C17H23N3O/c1-14-7-5-8-15(19-14)13-20(12-6-11-18)16-9-3-4-10-17(16)21-2/h3-5,7-10H,6,11-13,18H2,1-2H3
InChIKeyHNIACUOFWTYCLL-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)methyl]propane-1,3-diamine
CID 79262673
N'-(2-methoxyphenyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
CID 28770871
N'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 81106907
N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79267853
N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine
CID 43319172
N'-(3,3-dimethylbutyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 61481368
4-[N-(3-aminopropyl)-2-methoxyanilino]-2-methylbutan-2-ol
CID 79359732
N'-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 43318808
N'-(furan-2-ylmethyl)-N'-(2-methoxyphenyl)ethane-1,2-diamine
CID 28771828
2-methoxy-N,N-di(pentadecyl)aniline
CID 139723453
N'-(2-methoxyphenyl)-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
CID 65159037
[2-methoxy-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanamine
CID 106785650

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-(2-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine (CID 79262674) is N'-(2-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-(2-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-(2-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine is COc1ccccc1N(CCCN)Cc1cccc(C)n1.
What is the InChIKey of N'-(2-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine?
The InChIKey is HNIACUOFWTYCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-14-7-5-8-15(19-14)13-20(12-6-11-18)16-9-3-4-10-17(16)21-2/h3-5,7-10H,6,11-13,18H2,1-2H3.
What are the key properties of N'-(2-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine?
N'-(2-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'-(2-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 79262674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).