2-[3-[(3,4,5-trimethoxyphenyl)methylamino]propylamino]ethanol

C15H26N2O4 — CID 17214225

IUPAC2-[3-[(3,4,5-trimethoxyphenyl)methylamino]propylamino]ethanol
SMILESCOc1cc(CNCCCNCCO)cc(OC)c1OC
InChIInChI=1S/C15H26N2O4/c1-19-13-9-12(10-14(20-2)15(13)21-3)11-17-6-4-5-16-7-8-18/h9-10,16-18H,4-8,11H2,1-3H3
InChIKeyNNAIGUQMQJBVCU-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.77
Rot. Bonds11

About 2-[3-[(3,4,5-trimethoxyphenyl)methylamino]propylamino]ethanol

2-[3-[(3,4,5-trimethoxyphenyl)methylamino]propylamino]ethanol (PubChem CID 17214225) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[3-[(3,4,5-trimethoxyphenyl)methylamino]propylamino]ethanol.

Molecular Properties

Compound Name2-[3-[(3,4,5-trimethoxyphenyl)methylamino]propylamino]ethanol
PubChem CID17214225
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[3-[(3,4,5-trimethoxyphenyl)methylamino]propylamino]ethanol
SMILESCOc1cc(CNCCCNCCO)cc(OC)c1OC
InChIInChI=1S/C15H26N2O4/c1-19-13-9-12(10-14(20-2)15(13)21-3)11-17-6-4-5-16-7-8-18/h9-10,16-18H,4-8,11H2,1-3H3
InChIKeyNNAIGUQMQJBVCU-UHFFFAOYSA-N
XLogP0.77
TPSA71.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine
CID 60889130
2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]ethanol
CID 17155563
2-[3-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
CID 17214212
2-[3-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylamino]propylamino]ethanol
CID 17214431
3-[(3,4,5-trimethoxyphenyl)methylamino]propane-1-sulfonic acid
CID 11244091
2-[3-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]propylamino]ethanol
CID 17214327
N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17293493
2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]ethylamino]ethanol
CID 4721160
3-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 115639480
2-[3-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214160
1-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4721294
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 4718954

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,4,5-trimethoxyphenyl)methylamino]propylamino]ethanol?
The IUPAC name of 2-[3-[(3,4,5-trimethoxyphenyl)methylamino]propylamino]ethanol (CID 17214225) is 2-[3-[(3,4,5-trimethoxyphenyl)methylamino]propylamino]ethanol.
What is the SMILES notation for 2-[3-[(3,4,5-trimethoxyphenyl)methylamino]propylamino]ethanol?
The canonical SMILES for 2-[3-[(3,4,5-trimethoxyphenyl)methylamino]propylamino]ethanol is COc1cc(CNCCCNCCO)cc(OC)c1OC.
What is the InChIKey of 2-[3-[(3,4,5-trimethoxyphenyl)methylamino]propylamino]ethanol?
The InChIKey is NNAIGUQMQJBVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-19-13-9-12(10-14(20-2)15(13)21-3)11-17-6-4-5-16-7-8-18/h9-10,16-18H,4-8,11H2,1-3H3.
What are the key properties of 2-[3-[(3,4,5-trimethoxyphenyl)methylamino]propylamino]ethanol?
2-[3-[(3,4,5-trimethoxyphenyl)methylamino]propylamino]ethanol has a molecular weight of 298.38 g/mol, XLogP of 0.77, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3,4,5-trimethoxyphenyl)methylamino]propylamino]ethanol is sourced from PubChem (CID 17214225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).