2-[2-(cyclopenten-1-yl)ethylamino]-1-(2,5-dichlorophenyl)ethanol

C15H19Cl2NO — CID 106174226

IUPAC2-[2-(cyclopenten-1-yl)ethylamino]-1-(2,5-dichlorophenyl)ethanol
SMILESOC(CNCCC1=CCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H19Cl2NO/c16-12-5-6-14(17)13(9-12)15(19)10-18-8-7-11-3-1-2-4-11/h3,5-6,9,15,18-19H,1-2,4,7-8,10H2
InChIKeyGZODPSXBLUXQSB-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.12
Rot. Bonds6

About 2-[2-(cyclopenten-1-yl)ethylamino]-1-(2,5-dichlorophenyl)ethanol

2-[2-(cyclopenten-1-yl)ethylamino]-1-(2,5-dichlorophenyl)ethanol (PubChem CID 106174226) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is 2-[2-(cyclopenten-1-yl)ethylamino]-1-(2,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-[2-(cyclopenten-1-yl)ethylamino]-1-(2,5-dichlorophenyl)ethanol
PubChem CID106174226
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC Name2-[2-(cyclopenten-1-yl)ethylamino]-1-(2,5-dichlorophenyl)ethanol
SMILESOC(CNCCC1=CCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H19Cl2NO/c16-12-5-6-14(17)13(9-12)15(19)10-18-8-7-11-3-1-2-4-11/h3,5-6,9,15,18-19H,1-2,4,7-8,10H2
InChIKeyGZODPSXBLUXQSB-UHFFFAOYSA-N
XLogP4.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]ethanol
CID 114153912
(2S)-1-[2-(cyclopenten-1-yl)ethylamino]propan-2-ol
CID 106174090
2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol
CID 60900468
2-[2-(cyclopenten-1-yl)ethylamino]-1-(furan-2-yl)ethanol
CID 106173893
1-(2,5-dichlorophenyl)-2-(pent-4-ynylamino)ethanol
CID 114160110
1-(2,5-dichlorophenyl)-2-(2-methylsulfonylethylamino)ethanol
CID 54935215
2-[2-(cyclopenten-1-yl)ethylamino]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 106173895
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
3-[2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-1,1-dimethylurea
CID 83120511
1-(2,5-dichlorophenyl)-2-(2-prop-2-ynylsulfanylethylamino)ethanol
CID 106428889
1-(2,5-dichlorophenyl)-2-(2-imidazol-1-ylethylamino)ethanol
CID 61463037
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-dichlorophenyl)urea
CID 108988105

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopenten-1-yl)ethylamino]-1-(2,5-dichlorophenyl)ethanol?
The IUPAC name of 2-[2-(cyclopenten-1-yl)ethylamino]-1-(2,5-dichlorophenyl)ethanol (CID 106174226) is 2-[2-(cyclopenten-1-yl)ethylamino]-1-(2,5-dichlorophenyl)ethanol.
What is the SMILES notation for 2-[2-(cyclopenten-1-yl)ethylamino]-1-(2,5-dichlorophenyl)ethanol?
The canonical SMILES for 2-[2-(cyclopenten-1-yl)ethylamino]-1-(2,5-dichlorophenyl)ethanol is OC(CNCCC1=CCCC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[2-(cyclopenten-1-yl)ethylamino]-1-(2,5-dichlorophenyl)ethanol?
The InChIKey is GZODPSXBLUXQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c16-12-5-6-14(17)13(9-12)15(19)10-18-8-7-11-3-1-2-4-11/h3,5-6,9,15,18-19H,1-2,4,7-8,10H2.
What are the key properties of 2-[2-(cyclopenten-1-yl)ethylamino]-1-(2,5-dichlorophenyl)ethanol?
2-[2-(cyclopenten-1-yl)ethylamino]-1-(2,5-dichlorophenyl)ethanol has a molecular weight of 300.23 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopenten-1-yl)ethylamino]-1-(2,5-dichlorophenyl)ethanol is sourced from PubChem (CID 106174226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).