1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-(2-methylphenoxy)propan-2-ol

C16H28N2O3 — CID 62843457

IUPAC1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-(2-methylphenoxy)propan-2-ol
SMILESCOCCN(C)CCNCC(O)COc1ccccc1C
InChIInChI=1S/C16H28N2O3/c1-14-6-4-5-7-16(14)21-13-15(19)12-17-8-9-18(2)10-11-20-3/h4-7,15,17,19H,8-13H2,1-3H3
InChIKeyBSVFEDHMIKRBNB-UHFFFAOYSA-N
MW296.41 g/mol
LogP0.90
Rot. Bonds11

About 1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-(2-methylphenoxy)propan-2-ol

1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 62843457) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-(2-methylphenoxy)propan-2-ol
PubChem CID62843457
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-(2-methylphenoxy)propan-2-ol
SMILESCOCCN(C)CCNCC(O)COc1ccccc1C
InChIInChI=1S/C16H28N2O3/c1-14-6-4-5-7-16(14)21-13-15(19)12-17-8-9-18(2)10-11-20-3/h4-7,15,17,19H,8-13H2,1-3H3
InChIKeyBSVFEDHMIKRBNB-UHFFFAOYSA-N
XLogP0.90
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenoxy)-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propan-2-ol
CID 62844684
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol
CID 62273853
1-(2,2-dimethylhydrazinyl)-3-(2-methylphenoxy)propan-2-ol
CID 83014355
(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763
1-(2-methylphenoxy)-3-(octylamino)propan-2-ol
CID 12548704
1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60745192
1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-propan-2-yloxypropan-2-ol
CID 55126959
1-(2,5-dimethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60632864
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea
CID 83121216
(2S)-1-(2-methoxyethylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 39366264
1-(2-ethoxyethoxy)-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propan-2-ol
CID 62844325

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-(2-methylphenoxy)propan-2-ol (CID 62843457) is 1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-(2-methylphenoxy)propan-2-ol is COCCN(C)CCNCC(O)COc1ccccc1C.
What is the InChIKey of 1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is BSVFEDHMIKRBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-14-6-4-5-7-16(14)21-13-15(19)12-17-8-9-18(2)10-11-20-3/h4-7,15,17,19H,8-13H2,1-3H3.
What are the key properties of 1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-(2-methylphenoxy)propan-2-ol?
1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 296.41 g/mol, XLogP of 0.90, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 62843457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).