3-[[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol

C15H23Cl2NO3 — CID 65111839

IUPAC3-[[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCC(O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H23Cl2NO3/c1-3-15(20,4-2)10-18-8-12(19)9-21-14-7-11(16)5-6-13(14)17/h5-7,12,18-20H,3-4,8-10H2,1-2H3
InChIKeyPAUPBOBRYHZNSM-UHFFFAOYSA-N
MW336.26 g/mol
LogP2.87
Rot. Bonds9

About 3-[[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol

3-[[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol (PubChem CID 65111839) has the molecular formula C15H23Cl2NO3 and a molecular weight of 336.26 g/mol. Its IUPAC name is 3-[[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol
PubChem CID65111839
Molecular FormulaC15H23Cl2NO3
Molecular Weight336.26 g/mol
Exact Mass335.11
IUPAC Name3-[[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCC(O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H23Cl2NO3/c1-3-15(20,4-2)10-18-8-12(19)9-21-14-7-11(16)5-6-13(14)17/h5-7,12,18-20H,3-4,8-10H2,1-2H3
InChIKeyPAUPBOBRYHZNSM-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol with MolForge

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Related Compounds

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
methyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60649077
2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide
CID 60909766
1-(2,5-dichlorophenoxy)-3-(prop-2-enylamino)propan-2-ol
CID 3542105
(2S)-1-(2,5-dichlorophenoxy)-3-(prop-2-enylamino)propan-2-ol
CID 2114447
3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropane-1,2-diol
CID 66185309
[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium
CID 9159109
1-(2,5-dichlorophenoxy)-3-(hexan-3-ylamino)propan-2-ol
CID 62119307
1-(2,5-dichlorophenoxy)-3-(pyridin-4-ylmethylamino)propan-2-ol
CID 60633675
1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106247232

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol (CID 65111839) is 3-[[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol is CCC(O)(CC)CNCC(O)COc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-[[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol?
The InChIKey is PAUPBOBRYHZNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO3/c1-3-15(20,4-2)10-18-8-12(19)9-21-14-7-11(16)5-6-13(14)17/h5-7,12,18-20H,3-4,8-10H2,1-2H3.
What are the key properties of 3-[[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol?
3-[[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol has a molecular weight of 336.26 g/mol, XLogP of 2.87, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol is sourced from PubChem (CID 65111839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).