1-(3-chlorophenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol

C15H24ClNO3 — CID 115585707

IUPAC1-(3-chlorophenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
SMILESCC(C)COCCNCC(O)COc1cccc(Cl)c1
InChIInChI=1S/C15H24ClNO3/c1-12(2)10-19-7-6-17-9-14(18)11-20-15-5-3-4-13(16)8-15/h3-5,8,12,14,17-18H,6-7,9-11H2,1-2H3
InChIKeyUAENAGDXKDPZJX-UHFFFAOYSA-N
MW301.81 g/mol
LogP2.34
Rot. Bonds10

About 1-(3-chlorophenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol

1-(3-chlorophenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol (PubChem CID 115585707) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
PubChem CID115585707
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name1-(3-chlorophenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
SMILESCC(C)COCCNCC(O)COc1cccc(Cl)c1
InChIInChI=1S/C15H24ClNO3/c1-12(2)10-19-7-6-17-9-14(18)11-20-15-5-3-4-13(16)8-15/h3-5,8,12,14,17-18H,6-7,9-11H2,1-2H3
InChIKeyUAENAGDXKDPZJX-UHFFFAOYSA-N
XLogP2.34
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 52.34
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

1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585686
1-[2-(2-methylpropoxy)ethylamino]-3-phenoxypropan-2-ol
CID 115585680
1-(3-chlorophenoxy)-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
CID 60729480
1-(4-chloro-3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585716
1-(3-chlorophenoxy)-3-(3-hydroxypropylamino)propan-2-ol
CID 60633820
1-(4-methoxyphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585709
1-(but-3-enylamino)-3-(3-chlorophenoxy)propan-2-ol
CID 113465655
1-(3-chlorophenoxy)-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propan-2-ol
CID 62844684
1-(3-chlorophenoxy)-3-(hex-5-ynylamino)propan-2-ol
CID 106211470
ethyl 3-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]propanoate
CID 15578590
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide
CID 60901406
1-(3-chlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60633223

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol?
The IUPAC name of 1-(3-chlorophenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol (CID 115585707) is 1-(3-chlorophenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(3-chlorophenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol?
The canonical SMILES for 1-(3-chlorophenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol is CC(C)COCCNCC(O)COc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol?
The InChIKey is UAENAGDXKDPZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO3/c1-12(2)10-19-7-6-17-9-14(18)11-20-15-5-3-4-13(16)8-15/h3-5,8,12,14,17-18H,6-7,9-11H2,1-2H3.
What are the key properties of 1-(3-chlorophenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol?
1-(3-chlorophenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol has a molecular weight of 301.81 g/mol, XLogP of 2.34, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 115585707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).