1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol

C14H21Cl2NO2 — CID 60635510

IUPAC1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
SMILESCCC(CC)NCC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2NO2/c1-3-11(4-2)17-8-12(18)9-19-14-6-5-10(15)7-13(14)16/h5-7,11-12,17-18H,3-4,8-9H2,1-2H3
InChIKeyCOWDBSHTGLBTQB-UHFFFAOYSA-N
MW306.23 g/mol
LogP3.51
Rot. Bonds8

About 1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol

1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol (PubChem CID 60635510) has the molecular formula C14H21Cl2NO2 and a molecular weight of 306.23 g/mol. Its IUPAC name is 1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
PubChem CID60635510
Molecular FormulaC14H21Cl2NO2
Molecular Weight306.23 g/mol
Exact Mass305.09
IUPAC Name1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
SMILESCCC(CC)NCC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2NO2/c1-3-11(4-2)17-8-12(18)9-19-14-6-5-10(15)7-13(14)16/h5-7,11-12,17-18H,3-4,8-9H2,1-2H3
InChIKeyCOWDBSHTGLBTQB-UHFFFAOYSA-N
XLogP3.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2919059
1-(2,5-dichlorophenoxy)-3-(hexan-3-ylamino)propan-2-ol
CID 62119307
1-(2,4-dichlorophenoxy)-3-(4-methylpentan-2-ylamino)propan-2-ol
CID 60902173
1-(2,4-dichlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride
CID 138960076
1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635350
1-(2,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol
CID 60713244
(2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol
CID 2141740
1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol
CID 107152413
1-(2,4-dichlorophenoxy)-3-(2-ethoxyethylamino)propan-2-ol
CID 54938687
1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62140528
2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 3412619
3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropane-1,2-diol
CID 66185309

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol (CID 60635510) is 1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol is CCC(CC)NCC(O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol?
The InChIKey is COWDBSHTGLBTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO2/c1-3-11(4-2)17-8-12(18)9-19-14-6-5-10(15)7-13(14)16/h5-7,11-12,17-18H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol?
1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol has a molecular weight of 306.23 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol is sourced from PubChem (CID 60635510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).