1-(2,5-dichlorophenoxy)-3-(hexan-3-ylamino)propan-2-ol

C15H23Cl2NO2 — CID 62119307

IUPAC1-(2,5-dichlorophenoxy)-3-(hexan-3-ylamino)propan-2-ol
SMILESCCCC(CC)NCC(O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H23Cl2NO2/c1-3-5-12(4-2)18-9-13(19)10-20-15-8-11(16)6-7-14(15)17/h6-8,12-13,18-19H,3-5,9-10H2,1-2H3
InChIKeyJBGZSXBUBITVTL-UHFFFAOYSA-N
MW320.26 g/mol
LogP3.90
Rot. Bonds9

About 1-(2,5-dichlorophenoxy)-3-(hexan-3-ylamino)propan-2-ol

1-(2,5-dichlorophenoxy)-3-(hexan-3-ylamino)propan-2-ol (PubChem CID 62119307) has the molecular formula C15H23Cl2NO2 and a molecular weight of 320.26 g/mol. Its IUPAC name is 1-(2,5-dichlorophenoxy)-3-(hexan-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dichlorophenoxy)-3-(hexan-3-ylamino)propan-2-ol
PubChem CID62119307
Molecular FormulaC15H23Cl2NO2
Molecular Weight320.26 g/mol
Exact Mass319.11
IUPAC Name1-(2,5-dichlorophenoxy)-3-(hexan-3-ylamino)propan-2-ol
SMILESCCCC(CC)NCC(O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H23Cl2NO2/c1-3-5-12(4-2)18-9-13(19)10-20-15-8-11(16)6-7-14(15)17/h6-8,12-13,18-19H,3-5,9-10H2,1-2H3
InChIKeyJBGZSXBUBITVTL-UHFFFAOYSA-N
XLogP3.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dichlorophenoxy)-3-(hexan-3-ylamino)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-(2,5-dichlorophenoxy)-3-(hex-1-yn-3-ylamino)propan-2-ol
CID 106229990
1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635510
1-(2,5-dichlorophenoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol
CID 106190688
1-(2,5-dichlorophenoxy)-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103746646
1-(2,5-dichlorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol
CID 115609657
1-(2,5-dichlorophenoxy)-3-(hexylamino)propan-2-ol
CID 60635678
1-(2,5-dichlorophenoxy)-3-[1-(dimethylamino)propan-2-ylamino]propan-2-ol
CID 82939369
1-(2,5-dichlorophenyl)-2-(hexan-3-ylamino)ethanol
CID 62118576
1-(4-chlorophenoxy)-3-(octan-4-ylamino)propan-2-ol
CID 106024294
(2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol
CID 2141740
3-[[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol
CID 65111839
methyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60649077

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenoxy)-3-(hexan-3-ylamino)propan-2-ol?
The IUPAC name of 1-(2,5-dichlorophenoxy)-3-(hexan-3-ylamino)propan-2-ol (CID 62119307) is 1-(2,5-dichlorophenoxy)-3-(hexan-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2,5-dichlorophenoxy)-3-(hexan-3-ylamino)propan-2-ol?
The canonical SMILES for 1-(2,5-dichlorophenoxy)-3-(hexan-3-ylamino)propan-2-ol is CCCC(CC)NCC(O)COc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenoxy)-3-(hexan-3-ylamino)propan-2-ol?
The InChIKey is JBGZSXBUBITVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO2/c1-3-5-12(4-2)18-9-13(19)10-20-15-8-11(16)6-7-14(15)17/h6-8,12-13,18-19H,3-5,9-10H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenoxy)-3-(hexan-3-ylamino)propan-2-ol?
1-(2,5-dichlorophenoxy)-3-(hexan-3-ylamino)propan-2-ol has a molecular weight of 320.26 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenoxy)-3-(hexan-3-ylamino)propan-2-ol is sourced from PubChem (CID 62119307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).