3-N-[(3,4,5-trimethoxyphenyl)methyl]propane-1,2,3-triamine

C13H23N3O3 — CID 115119766

IUPAC3-N-[(3,4,5-trimethoxyphenyl)methyl]propane-1,2,3-triamine
SMILESCOc1cc(CNCC(N)CN)cc(OC)c1OC
InChIInChI=1S/C13H23N3O3/c1-17-11-4-9(7-16-8-10(15)6-14)5-12(18-2)13(11)19-3/h4-5,10,16H,6-8,14-15H2,1-3H3
InChIKeyMHBQMBQTEGXXJE-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.09
Rot. Bonds8

About 3-N-[(3,4,5-trimethoxyphenyl)methyl]propane-1,2,3-triamine

3-N-[(3,4,5-trimethoxyphenyl)methyl]propane-1,2,3-triamine (PubChem CID 115119766) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-N-[(3,4,5-trimethoxyphenyl)methyl]propane-1,2,3-triamine.

Molecular Properties

Compound Name3-N-[(3,4,5-trimethoxyphenyl)methyl]propane-1,2,3-triamine
PubChem CID115119766
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name3-N-[(3,4,5-trimethoxyphenyl)methyl]propane-1,2,3-triamine
SMILESCOc1cc(CNCC(N)CN)cc(OC)c1OC
InChIInChI=1S/C13H23N3O3/c1-17-11-4-9(7-16-8-10(15)6-14)5-12(18-2)13(11)19-3/h4-5,10,16H,6-8,14-15H2,1-3H3
InChIKeyMHBQMBQTEGXXJE-UHFFFAOYSA-N
XLogP0.09
TPSA91.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[(3,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine
CID 60889130
1-N-[(3,4-dimethoxyphenyl)methyl]butane-1,2-diamine
CID 83957273
3-N-[(2-methoxyphenyl)methyl]propane-1,2,3-triamine
CID 115119767
1-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4721294
3-N-[(5-bromo-2-methoxyphenyl)methyl]propane-1,2,3-triamine
CID 115119678
2-N,2-N,4-trimethyl-1-N-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2-diamine
CID 75871522
N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17293493
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
1-phenyl-2-[(3,4,5-trimethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17295818
2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119272316
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2,2-dimethoxyethanamine
CID 60657416
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,2-dimethoxyethanamine
CID 54917908

Frequently Asked Questions

What is the IUPAC name of 3-N-[(3,4,5-trimethoxyphenyl)methyl]propane-1,2,3-triamine?
The IUPAC name of 3-N-[(3,4,5-trimethoxyphenyl)methyl]propane-1,2,3-triamine (CID 115119766) is 3-N-[(3,4,5-trimethoxyphenyl)methyl]propane-1,2,3-triamine.
What is the SMILES notation for 3-N-[(3,4,5-trimethoxyphenyl)methyl]propane-1,2,3-triamine?
The canonical SMILES for 3-N-[(3,4,5-trimethoxyphenyl)methyl]propane-1,2,3-triamine is COc1cc(CNCC(N)CN)cc(OC)c1OC.
What is the InChIKey of 3-N-[(3,4,5-trimethoxyphenyl)methyl]propane-1,2,3-triamine?
The InChIKey is MHBQMBQTEGXXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-17-11-4-9(7-16-8-10(15)6-14)5-12(18-2)13(11)19-3/h4-5,10,16H,6-8,14-15H2,1-3H3.
What are the key properties of 3-N-[(3,4,5-trimethoxyphenyl)methyl]propane-1,2,3-triamine?
3-N-[(3,4,5-trimethoxyphenyl)methyl]propane-1,2,3-triamine has a molecular weight of 269.34 g/mol, XLogP of 0.09, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3,4,5-trimethoxyphenyl)methyl]propane-1,2,3-triamine is sourced from PubChem (CID 115119766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).