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

C15H23Cl2NO2 — CID 115609657

IUPAC1-(2,5-dichlorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol
SMILESCCCC(C)(C)NCC(O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H23Cl2NO2/c1-4-7-15(2,3)18-9-12(19)10-20-14-8-11(16)5-6-13(14)17/h5-6,8,12,18-19H,4,7,9-10H2,1-3H3
InChIKeyZXUSKZREPGPOHX-UHFFFAOYSA-N
MW320.26 g/mol
LogP3.90
Rot. Bonds8

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

1-(2,5-dichlorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol (PubChem CID 115609657) has the molecular formula C15H23Cl2NO2 and a molecular weight of 320.26 g/mol. Its IUPAC name is 1-(2,5-dichlorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dichlorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol
PubChem CID115609657
Molecular FormulaC15H23Cl2NO2
Molecular Weight320.26 g/mol
Exact Mass319.11
IUPAC Name1-(2,5-dichlorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol
SMILESCCCC(C)(C)NCC(O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H23Cl2NO2/c1-4-7-15(2,3)18-9-12(19)10-20-14-8-11(16)5-6-13(14)17/h5-6,8,12,18-19H,4,7,9-10H2,1-3H3
InChIKeyZXUSKZREPGPOHX-UHFFFAOYSA-N
XLogP3.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

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Related Compounds

1-(2,5-dichlorophenoxy)-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103746646
1-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(2,5-dichlorophenoxy)propan-2-ol
CID 10047785
1-(2,5-dichlorophenoxy)-3-(hexylamino)propan-2-ol
CID 60635678
3-[[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol
CID 65111839
2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 3412619
1-(2,5-dichlorophenoxy)-3-(hexan-3-ylamino)propan-2-ol
CID 62119307
[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium
CID 9159109
1-(2,5-dichlorophenoxy)-3-(hex-1-yn-3-ylamino)propan-2-ol
CID 106229990
1-(4-fluorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol
CID 115609743
(2R)-1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 959161
1-(2-methylpentan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 115609672
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-(2-methylpentan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2,5-dichlorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol (CID 115609657) is 1-(2,5-dichlorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2,5-dichlorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2,5-dichlorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol is CCCC(C)(C)NCC(O)COc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol?
The InChIKey is ZXUSKZREPGPOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO2/c1-4-7-15(2,3)18-9-12(19)10-20-14-8-11(16)5-6-13(14)17/h5-6,8,12,18-19H,4,7,9-10H2,1-3H3.
What are the key properties of 1-(2,5-dichlorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol?
1-(2,5-dichlorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol has a molecular weight of 320.26 g/mol, XLogP of 3.90, 8 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-(2-methylpentan-2-ylamino)propan-2-ol is sourced from PubChem (CID 115609657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).