1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol

C15H23Cl2NO3 — CID 107152413

IUPAC1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNCC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2NO3/c1-10(2)5-12(19)7-18-8-13(20)9-21-15-4-3-11(16)6-14(15)17/h3-4,6,10,12-13,18-20H,5,7-9H2,1-2H3
InChIKeyAFYNVKVFAWJWLV-UHFFFAOYSA-N
MW336.26 g/mol
LogP2.73
Rot. Bonds9

About 1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol

1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol (PubChem CID 107152413) has the molecular formula C15H23Cl2NO3 and a molecular weight of 336.26 g/mol. Its IUPAC name is 1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol
PubChem CID107152413
Molecular FormulaC15H23Cl2NO3
Molecular Weight336.26 g/mol
Exact Mass335.11
IUPAC Name1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNCC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2NO3/c1-10(2)5-12(19)7-18-8-13(20)9-21-15-4-3-11(16)6-14(15)17/h3-4,6,10,12-13,18-20H,5,7-9H2,1-2H3
InChIKeyAFYNVKVFAWJWLV-UHFFFAOYSA-N
XLogP2.73
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol with MolForge

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Related Compounds

1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635350
1-(2,4-dichlorophenoxy)-3-(4-methylpentan-2-ylamino)propan-2-ol
CID 60902173
1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2919059
1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62140528
1-(2,4-dichlorophenoxy)-3-[2-(dimethylamino)ethylamino]propan-2-ol
CID 60635084
1-(2,4-dichlorophenoxy)-3-(2-ethoxyethylamino)propan-2-ol
CID 54938687
3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropane-1,2-diol
CID 66185309
1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635510
1-(2,4-dichlorophenoxy)-3-(2-methylanilino)propan-2-ol
CID 60899964
3-[[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
CID 66005905
1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol
CID 168510550
3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938626

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol (CID 107152413) is 1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol is CC(C)CC(O)CNCC(O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol?
The InChIKey is AFYNVKVFAWJWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO3/c1-10(2)5-12(19)7-18-8-13(20)9-21-15-4-3-11(16)6-14(15)17/h3-4,6,10,12-13,18-20H,5,7-9H2,1-2H3.
What are the key properties of 1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol?
1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol has a molecular weight of 336.26 g/mol, XLogP of 2.73, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol is sourced from PubChem (CID 107152413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).