1-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethylamino]propan-2-ol

C15H26N2O4 — CID 4721310

IUPAC1-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethylamino]propan-2-ol
SMILESCOc1cc(OC)c(OC)cc1CNCCNCC(C)O
InChIInChI=1S/C15H26N2O4/c1-11(18)9-16-5-6-17-10-12-7-14(20-3)15(21-4)8-13(12)19-2/h7-8,11,16-18H,5-6,9-10H2,1-4H3
InChIKeyUGPMXJZKMUPUFI-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.77
Rot. Bonds10

About 1-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethylamino]propan-2-ol

1-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethylamino]propan-2-ol (PubChem CID 4721310) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethylamino]propan-2-ol
PubChem CID4721310
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethylamino]propan-2-ol
SMILESCOc1cc(OC)c(OC)cc1CNCCNCC(C)O
InChIInChI=1S/C15H26N2O4/c1-11(18)9-16-5-6-17-10-12-7-14(20-3)15(21-4)8-13(12)19-2/h7-8,11,16-18H,5-6,9-10H2,1-4H3
InChIKeyUGPMXJZKMUPUFI-UHFFFAOYSA-N
XLogP0.77
TPSA71.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
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

(2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol
CID 51434639
N-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 113405170
1-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4721294
2-methyl-5-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol
CID 103859360
N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 4719013
2-methylsulfinyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 115763905
2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl carbamate
CID 83210035
1-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
CID 66532396
5-[(4,5-dimethoxy-2-methylsulfanylphenyl)methylamino]pentan-2-ol
CID 107267848
3,4,5-trimethoxy-N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide
CID 5133336
1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4721134
1-[2-[(2-methoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17295794

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethylamino]propan-2-ol?
The IUPAC name of 1-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethylamino]propan-2-ol (CID 4721310) is 1-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethylamino]propan-2-ol is COc1cc(OC)c(OC)cc1CNCCNCC(C)O.
What is the InChIKey of 1-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethylamino]propan-2-ol?
The InChIKey is UGPMXJZKMUPUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-11(18)9-16-5-6-17-10-12-7-14(20-3)15(21-4)8-13(12)19-2/h7-8,11,16-18H,5-6,9-10H2,1-4H3.
What are the key properties of 1-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethylamino]propan-2-ol?
1-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethylamino]propan-2-ol has a molecular weight of 298.38 g/mol, XLogP of 0.77, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethylamino]propan-2-ol is sourced from PubChem (CID 4721310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).