1-(4-ethylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol

C17H30N2O2 — CID 62640128

IUPAC1-(4-ethylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
SMILESCCc1ccc(OCC(O)CNCCN(C)C(C)C)cc1
InChIInChI=1S/C17H30N2O2/c1-5-15-6-8-17(9-7-15)21-13-16(20)12-18-10-11-19(4)14(2)3/h6-9,14,16,18,20H,5,10-13H2,1-4H3
InChIKeyCVVJRUKNOJXKCN-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.92
Rot. Bonds10

About 1-(4-ethylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol

1-(4-ethylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol (PubChem CID 62640128) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(4-ethylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(4-ethylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
PubChem CID62640128
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-(4-ethylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
SMILESCCc1ccc(OCC(O)CNCCN(C)C(C)C)cc1
InChIInChI=1S/C17H30N2O2/c1-5-15-6-8-17(9-7-15)21-13-16(20)12-18-10-11-19(4)14(2)3/h6-9,14,16,18,20H,5,10-13H2,1-4H3
InChIKeyCVVJRUKNOJXKCN-UHFFFAOYSA-N
XLogP1.92
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64911209
5-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]pentan-2-ol
CID 106131486
1-(4-ethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60745292
(2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39356436
1-(4-methylphenoxy)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
CID 106045815
1-(3,3-dimethylbutylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 115581071
1-(4-chloro-3-methylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62639947
1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43188012
1-(4-ethylphenoxy)-3-(4,4,4-trifluorobutylamino)propan-2-ol
CID 115518304
1-(4-ethylphenoxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 60969765
1-(4-ethylphenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
CID 60909876
4-[(2S)-3-[2-(dimethylamino)ethylamino]-2-hydroxypropoxy]benzonitrile
CID 93381176

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol?
The IUPAC name of 1-(4-ethylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol (CID 62640128) is 1-(4-ethylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol.
What is the SMILES notation for 1-(4-ethylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol?
The canonical SMILES for 1-(4-ethylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol is CCc1ccc(OCC(O)CNCCN(C)C(C)C)cc1.
What is the InChIKey of 1-(4-ethylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol?
The InChIKey is CVVJRUKNOJXKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-15-6-8-17(9-7-15)21-13-16(20)12-18-10-11-19(4)14(2)3/h6-9,14,16,18,20H,5,10-13H2,1-4H3.
What are the key properties of 1-(4-ethylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol?
1-(4-ethylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol has a molecular weight of 294.44 g/mol, XLogP of 1.92, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol is sourced from PubChem (CID 62640128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).