3-N-[(2-methoxyphenyl)methyl]propane-1,2,3-triamine

C11H19N3O — CID 115119767

IUPAC3-N-[(2-methoxyphenyl)methyl]propane-1,2,3-triamine
SMILESCOc1ccccc1CNCC(N)CN
InChIInChI=1S/C11H19N3O/c1-15-11-5-3-2-4-9(11)7-14-8-10(13)6-12/h2-5,10,14H,6-8,12-13H2,1H3
InChIKeyDBTKTILPZINUOW-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.07
Rot. Bonds6

About 3-N-[(2-methoxyphenyl)methyl]propane-1,2,3-triamine

3-N-[(2-methoxyphenyl)methyl]propane-1,2,3-triamine (PubChem CID 115119767) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-N-[(2-methoxyphenyl)methyl]propane-1,2,3-triamine.

Molecular Properties

Compound Name3-N-[(2-methoxyphenyl)methyl]propane-1,2,3-triamine
PubChem CID115119767
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-N-[(2-methoxyphenyl)methyl]propane-1,2,3-triamine
SMILESCOc1ccccc1CNCC(N)CN
InChIInChI=1S/C11H19N3O/c1-15-11-5-3-2-4-9(11)7-14-8-10(13)6-12/h2-5,10,14H,6-8,12-13H2,1H3
InChIKeyDBTKTILPZINUOW-UHFFFAOYSA-N
XLogP0.07
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[(2-methoxyphenyl)methylamino]propan-1-ol
CID 115120623
1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine
CID 83960655
3-N-[(5-bromo-2-methoxyphenyl)methyl]propane-1,2,3-triamine
CID 115119678
(2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 28612668
2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78910443
(2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine
CID 104867958
1-[(2-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate
CID 82533086
2-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbutanenitrile
CID 115254514
(2R)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482361
(2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482360
N'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine
CID 542258
2-[(2-methoxyphenyl)methylamino]-1-(2-methylphenyl)ethanol
CID 111118595

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2-methoxyphenyl)methyl]propane-1,2,3-triamine?
The IUPAC name of 3-N-[(2-methoxyphenyl)methyl]propane-1,2,3-triamine (CID 115119767) is 3-N-[(2-methoxyphenyl)methyl]propane-1,2,3-triamine.
What is the SMILES notation for 3-N-[(2-methoxyphenyl)methyl]propane-1,2,3-triamine?
The canonical SMILES for 3-N-[(2-methoxyphenyl)methyl]propane-1,2,3-triamine is COc1ccccc1CNCC(N)CN.
What is the InChIKey of 3-N-[(2-methoxyphenyl)methyl]propane-1,2,3-triamine?
The InChIKey is DBTKTILPZINUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-15-11-5-3-2-4-9(11)7-14-8-10(13)6-12/h2-5,10,14H,6-8,12-13H2,1H3.
What are the key properties of 3-N-[(2-methoxyphenyl)methyl]propane-1,2,3-triamine?
3-N-[(2-methoxyphenyl)methyl]propane-1,2,3-triamine has a molecular weight of 209.29 g/mol, XLogP of 0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2-methoxyphenyl)methyl]propane-1,2,3-triamine is sourced from PubChem (CID 115119767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).