3-[[2-(2,4-dichlorophenyl)-2-hydroxyethyl]amino]propan-1-ol

C11H15Cl2NO2 — CID 82313271

IUPAC3-[[2-(2,4-dichlorophenyl)-2-hydroxyethyl]amino]propan-1-ol
SMILESOCCCNCC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2NO2/c12-8-2-3-9(10(13)6-8)11(16)7-14-4-1-5-15/h2-3,6,11,14-16H,1,4-5,7H2
InChIKeyFRZYIKNXLVQHJI-UHFFFAOYSA-N
MW264.15 g/mol
LogP2.00
Rot. Bonds6

About 3-[[2-(2,4-dichlorophenyl)-2-hydroxyethyl]amino]propan-1-ol

3-[[2-(2,4-dichlorophenyl)-2-hydroxyethyl]amino]propan-1-ol (PubChem CID 82313271) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 3-[[2-(2,4-dichlorophenyl)-2-hydroxyethyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-(2,4-dichlorophenyl)-2-hydroxyethyl]amino]propan-1-ol
PubChem CID82313271
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name3-[[2-(2,4-dichlorophenyl)-2-hydroxyethyl]amino]propan-1-ol
SMILESOCCCNCC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2NO2/c12-8-2-3-9(10(13)6-8)11(16)7-14-4-1-5-15/h2-3,6,11,14-16H,1,4-5,7H2
InChIKeyFRZYIKNXLVQHJI-UHFFFAOYSA-N
XLogP2.00
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 82313283
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CID 111114875
1-(2,5-dichlorophenyl)-2-(pent-4-ynylamino)ethanol
CID 114160110
1-(3-chlorophenoxy)-3-(3-hydroxypropylamino)propan-2-ol
CID 60633820
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CID 60672346
1-(2,4-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol
CID 111424572
1-(2,4-dichlorophenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
CID 111114881
1-(2,4-dichlorophenyl)-2-sulfanylethanol
CID 116830061
3-(2,4-dichlorophenyl)-3-hydroxypropanal
CID 114795177
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1-(2-chlorophenyl)-2-(octylamino)ethanol
CID 115567759

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4-dichlorophenyl)-2-hydroxyethyl]amino]propan-1-ol?
The IUPAC name of 3-[[2-(2,4-dichlorophenyl)-2-hydroxyethyl]amino]propan-1-ol (CID 82313271) is 3-[[2-(2,4-dichlorophenyl)-2-hydroxyethyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[2-(2,4-dichlorophenyl)-2-hydroxyethyl]amino]propan-1-ol?
The canonical SMILES for 3-[[2-(2,4-dichlorophenyl)-2-hydroxyethyl]amino]propan-1-ol is OCCCNCC(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[[2-(2,4-dichlorophenyl)-2-hydroxyethyl]amino]propan-1-ol?
The InChIKey is FRZYIKNXLVQHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2/c12-8-2-3-9(10(13)6-8)11(16)7-14-4-1-5-15/h2-3,6,11,14-16H,1,4-5,7H2.
What are the key properties of 3-[[2-(2,4-dichlorophenyl)-2-hydroxyethyl]amino]propan-1-ol?
3-[[2-(2,4-dichlorophenyl)-2-hydroxyethyl]amino]propan-1-ol has a molecular weight of 264.15 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,4-dichlorophenyl)-2-hydroxyethyl]amino]propan-1-ol is sourced from PubChem (CID 82313271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).