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

C15H25ClN2O3 — CID 62844684

IUPAC1-(3-chlorophenoxy)-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propan-2-ol
SMILESCOCCN(C)CCNCC(O)COc1cccc(Cl)c1
InChIInChI=1S/C15H25ClN2O3/c1-18(8-9-20-2)7-6-17-11-14(19)12-21-15-5-3-4-13(16)10-15/h3-5,10,14,17,19H,6-9,11-12H2,1-2H3
InChIKeyVCAFENZXENOHKX-UHFFFAOYSA-N
MW316.83 g/mol
LogP1.25
Rot. Bonds11

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

1-(3-chlorophenoxy)-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propan-2-ol (PubChem CID 62844684) has the molecular formula C15H25ClN2O3 and a molecular weight of 316.83 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propan-2-ol
PubChem CID62844684
Molecular FormulaC15H25ClN2O3
Molecular Weight316.83 g/mol
Exact Mass316.16
IUPAC Name1-(3-chlorophenoxy)-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propan-2-ol
SMILESCOCCN(C)CCNCC(O)COc1cccc(Cl)c1
InChIInChI=1S/C15H25ClN2O3/c1-18(8-9-20-2)7-6-17-11-14(19)12-21-15-5-3-4-13(16)10-15/h3-5,10,14,17,19H,6-9,11-12H2,1-2H3
InChIKeyVCAFENZXENOHKX-UHFFFAOYSA-N
XLogP1.25
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3-chlorophenoxy)-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585707
1-(3-chlorophenoxy)-3-(3-hydroxypropylamino)propan-2-ol
CID 60633820
1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 62843457
1-(3-chlorophenoxy)-4-methoxybutan-2-ol
CID 117236754
ethyl 3-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]propanoate
CID 15578590
1-(but-3-enylamino)-3-(3-chlorophenoxy)propan-2-ol
CID 113465655
1-(3-chlorophenoxy)-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
CID 60729480
1-(3-chlorophenoxy)-3-(hex-5-ynylamino)propan-2-ol
CID 106211470
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide
CID 60901406
1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-propan-2-yloxypropan-2-ol
CID 55126959
1-(3-chlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60633223
3-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N,2,2-trimethylpropanamide
CID 106277228

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propan-2-ol?
The IUPAC name of 1-(3-chlorophenoxy)-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propan-2-ol (CID 62844684) is 1-(3-chlorophenoxy)-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propan-2-ol.
What is the SMILES notation for 1-(3-chlorophenoxy)-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propan-2-ol?
The canonical SMILES for 1-(3-chlorophenoxy)-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propan-2-ol is COCCN(C)CCNCC(O)COc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenoxy)-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propan-2-ol?
The InChIKey is VCAFENZXENOHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O3/c1-18(8-9-20-2)7-6-17-11-14(19)12-21-15-5-3-4-13(16)10-15/h3-5,10,14,17,19H,6-9,11-12H2,1-2H3.
What are the key properties of 1-(3-chlorophenoxy)-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propan-2-ol?
1-(3-chlorophenoxy)-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propan-2-ol has a molecular weight of 316.83 g/mol, XLogP of 1.25, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propan-2-ol is sourced from PubChem (CID 62844684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).