1-(3,4-dichlorophenoxy)-3-(3-methylbut-2-enylamino)propan-2-ol

C14H19Cl2NO2 — CID 106188238

IUPAC1-(3,4-dichlorophenoxy)-3-(3-methylbut-2-enylamino)propan-2-ol
SMILESCC(C)=CCNCC(O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2NO2/c1-10(2)5-6-17-8-11(18)9-19-12-3-4-13(15)14(16)7-12/h3-5,7,11,17-18H,6,8-9H2,1-2H3
InChIKeyZKWBZMPLYSARBM-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.29
Rot. Bonds7

About 1-(3,4-dichlorophenoxy)-3-(3-methylbut-2-enylamino)propan-2-ol

1-(3,4-dichlorophenoxy)-3-(3-methylbut-2-enylamino)propan-2-ol (PubChem CID 106188238) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is 1-(3,4-dichlorophenoxy)-3-(3-methylbut-2-enylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dichlorophenoxy)-3-(3-methylbut-2-enylamino)propan-2-ol
PubChem CID106188238
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Name1-(3,4-dichlorophenoxy)-3-(3-methylbut-2-enylamino)propan-2-ol
SMILESCC(C)=CCNCC(O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2NO2/c1-10(2)5-6-17-8-11(18)9-19-12-3-4-13(15)14(16)7-12/h3-5,7,11,17-18H,6,8-9H2,1-2H3
InChIKeyZKWBZMPLYSARBM-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3,4-dichlorophenoxy)-3-(3-methylbut-2-enylamino)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

N-[2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]ethyl]acetamide
CID 60632295
1-(3-aminopropylamino)-3-(3,4-dichlorophenoxy)propan-2-ol
CID 62275385
2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]acetamide
CID 60900938
3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide
CID 106174321
3-(3,4-dichlorophenoxy)propane-1,2-diol
CID 78931944
4-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol
CID 106146498
1-(3,4-dichlorophenoxy)-3-(2-methylpropoxyamino)propan-2-ol
CID 82715506
1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol
CID 43166207
1-(2,6-dimethylphenoxy)-3-(3-methylbut-2-enylamino)propan-2-ol
CID 106547035
1-(3,4-dichlorophenoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
CID 106291336
3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938962
1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635656

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenoxy)-3-(3-methylbut-2-enylamino)propan-2-ol?
The IUPAC name of 1-(3,4-dichlorophenoxy)-3-(3-methylbut-2-enylamino)propan-2-ol (CID 106188238) is 1-(3,4-dichlorophenoxy)-3-(3-methylbut-2-enylamino)propan-2-ol.
What is the SMILES notation for 1-(3,4-dichlorophenoxy)-3-(3-methylbut-2-enylamino)propan-2-ol?
The canonical SMILES for 1-(3,4-dichlorophenoxy)-3-(3-methylbut-2-enylamino)propan-2-ol is CC(C)=CCNCC(O)COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenoxy)-3-(3-methylbut-2-enylamino)propan-2-ol?
The InChIKey is ZKWBZMPLYSARBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c1-10(2)5-6-17-8-11(18)9-19-12-3-4-13(15)14(16)7-12/h3-5,7,11,17-18H,6,8-9H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenoxy)-3-(3-methylbut-2-enylamino)propan-2-ol?
1-(3,4-dichlorophenoxy)-3-(3-methylbut-2-enylamino)propan-2-ol has a molecular weight of 304.22 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenoxy)-3-(3-methylbut-2-enylamino)propan-2-ol is sourced from PubChem (CID 106188238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).