1-(2,5-dichlorophenoxy)-3-(hexylamino)propan-2-ol

C15H23Cl2NO2 — CID 60635678

IUPAC1-(2,5-dichlorophenoxy)-3-(hexylamino)propan-2-ol
SMILESCCCCCCNCC(O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H23Cl2NO2/c1-2-3-4-5-8-18-10-13(19)11-20-15-9-12(16)6-7-14(15)17/h6-7,9,13,18-19H,2-5,8,10-11H2,1H3
InChIKeyTZTHFDNHQGNNFE-UHFFFAOYSA-N
MW320.26 g/mol
LogP3.90
Rot. Bonds10

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

1-(2,5-dichlorophenoxy)-3-(hexylamino)propan-2-ol (PubChem CID 60635678) has the molecular formula C15H23Cl2NO2 and a molecular weight of 320.26 g/mol. Its IUPAC name is 1-(2,5-dichlorophenoxy)-3-(hexylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dichlorophenoxy)-3-(hexylamino)propan-2-ol
PubChem CID60635678
Molecular FormulaC15H23Cl2NO2
Molecular Weight320.26 g/mol
Exact Mass319.11
IUPAC Name1-(2,5-dichlorophenoxy)-3-(hexylamino)propan-2-ol
SMILESCCCCCCNCC(O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H23Cl2NO2/c1-2-3-4-5-8-18-10-13(19)11-20-15-9-12(16)6-7-14(15)17/h6-7,9,13,18-19H,2-5,8,10-11H2,1H3
InChIKeyTZTHFDNHQGNNFE-UHFFFAOYSA-N
XLogP3.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
1-(2,5-dichlorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol
CID 115609657
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
2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]-N-ethylacetamide
CID 60909766
1-(2,5-dichlorophenoxy)-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103746646
1-(2-methylphenoxy)-3-(octylamino)propan-2-ol
CID 12548704
1-(2,5-dichlorophenoxy)-3-(hexan-3-ylamino)propan-2-ol
CID 62119307
1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62140528
(2R)-1-(butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol
CID 7013121
4-(2,5-dichlorophenoxy)-N-(2-methylpropyl)butan-1-amine
CID 55077833

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenoxy)-3-(hexylamino)propan-2-ol?
The IUPAC name of 1-(2,5-dichlorophenoxy)-3-(hexylamino)propan-2-ol (CID 60635678) is 1-(2,5-dichlorophenoxy)-3-(hexylamino)propan-2-ol.
What is the SMILES notation for 1-(2,5-dichlorophenoxy)-3-(hexylamino)propan-2-ol?
The canonical SMILES for 1-(2,5-dichlorophenoxy)-3-(hexylamino)propan-2-ol is CCCCCCNCC(O)COc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenoxy)-3-(hexylamino)propan-2-ol?
The InChIKey is TZTHFDNHQGNNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO2/c1-2-3-4-5-8-18-10-13(19)11-20-15-9-12(16)6-7-14(15)17/h6-7,9,13,18-19H,2-5,8,10-11H2,1H3.
What are the key properties of 1-(2,5-dichlorophenoxy)-3-(hexylamino)propan-2-ol?
1-(2,5-dichlorophenoxy)-3-(hexylamino)propan-2-ol has a molecular weight of 320.26 g/mol, XLogP of 3.90, 10 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-(hexylamino)propan-2-ol is sourced from PubChem (CID 60635678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).