3-N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propane-1,2,3-triamine

C15H27N3O — CID 115119991

IUPAC3-N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propane-1,2,3-triamine
SMILESCOc1c(C)cc(CCNCC(N)CN)c(C)c1C
InChIInChI=1S/C15H27N3O/c1-10-7-13(5-6-18-9-14(17)8-16)11(2)12(3)15(10)19-4/h7,14,18H,5-6,8-9,16-17H2,1-4H3
InChIKeyYWPRFVXVMBIANY-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.04
Rot. Bonds7

About 3-N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propane-1,2,3-triamine

3-N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propane-1,2,3-triamine (PubChem CID 115119991) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propane-1,2,3-triamine.

Molecular Properties

Compound Name3-N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propane-1,2,3-triamine
PubChem CID115119991
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propane-1,2,3-triamine
SMILESCOc1c(C)cc(CCNCC(N)CN)c(C)c1C
InChIInChI=1S/C15H27N3O/c1-10-7-13(5-6-18-9-14(17)8-16)11(2)12(3)15(10)19-4/h7,14,18H,5-6,8-9,16-17H2,1-4H3
InChIKeyYWPRFVXVMBIANY-UHFFFAOYSA-N
XLogP1.04
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]propane-1,2,3-triamine
CID 115119990
1-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]propan-2-ol
CID 112513447
N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine
CID 96661156
N'-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-N-methylpropane-1,3-diamine
CID 115198003
4-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]butan-1-ol
CID 115217788
2-amino-3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propan-1-ol
CID 115120814
1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine
CID 13209710
2-(4-methoxy-2,3,5-trimethylphenyl)ethanol
CID 82469086
N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198805
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-methylbutane-1,4-diamine
CID 115202568
2-(4-methoxy-2,3,5-trimethylphenyl)ethyl 2-aminopropanoate
CID 112514975
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206463

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propane-1,2,3-triamine?
The IUPAC name of 3-N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propane-1,2,3-triamine (CID 115119991) is 3-N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propane-1,2,3-triamine.
What is the SMILES notation for 3-N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propane-1,2,3-triamine?
The canonical SMILES for 3-N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propane-1,2,3-triamine is COc1c(C)cc(CCNCC(N)CN)c(C)c1C.
What is the InChIKey of 3-N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propane-1,2,3-triamine?
The InChIKey is YWPRFVXVMBIANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-10-7-13(5-6-18-9-14(17)8-16)11(2)12(3)15(10)19-4/h7,14,18H,5-6,8-9,16-17H2,1-4H3.
What are the key properties of 3-N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propane-1,2,3-triamine?
3-N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propane-1,2,3-triamine has a molecular weight of 265.40 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propane-1,2,3-triamine is sourced from PubChem (CID 115119991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).