1-(4-chlorophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]ethanol

C15H20ClNO — CID 114153912

IUPAC1-(4-chlorophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]ethanol
SMILESOC(CNCCC1=CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO/c16-14-7-5-13(6-8-14)15(18)11-17-10-9-12-3-1-2-4-12/h3,5-8,15,17-18H,1-2,4,9-11H2
InChIKeyVDILAXDHEDVHRZ-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.46
Rot. Bonds6

About 1-(4-chlorophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]ethanol

1-(4-chlorophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]ethanol (PubChem CID 114153912) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]ethanol
PubChem CID114153912
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-(4-chlorophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]ethanol
SMILESOC(CNCCC1=CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO/c16-14-7-5-13(6-8-14)15(18)11-17-10-9-12-3-1-2-4-12/h3,5-8,15,17-18H,1-2,4,9-11H2
InChIKeyVDILAXDHEDVHRZ-UHFFFAOYSA-N
XLogP3.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.46
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

2-[2-(cyclopenten-1-yl)ethylamino]-1-(2,5-dichlorophenyl)ethanol
CID 106174226
2-[2-(cyclopenten-1-yl)ethylamino]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 106173895
(2S)-1-[2-(cyclopenten-1-yl)ethylamino]propan-2-ol
CID 106174090
2-[2-(cyclopenten-1-yl)ethylamino]-1-(furan-2-yl)ethanol
CID 106173893
1-(4-chlorophenyl)-2-(cyclohexen-1-yl)ethanol
CID 116660033
N-(4-chlorophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]acetamide
CID 106174094
1-(4-chlorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol
CID 60724741
2-[2-(5-bromothiophen-2-yl)ethylamino]-1-(4-chlorophenyl)ethanol
CID 106046807
1-(4-chlorophenyl)-2-(3-phenylpropylamino)ethanol
CID 60724627
[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 4-chlorobenzoate
CID 7484190
4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]butanamide
CID 54937560
1-[2-(cyclopenten-1-yl)ethylamino]-3-(cyclopropylmethoxy)propan-2-ol
CID 106174220

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]ethanol (CID 114153912) is 1-(4-chlorophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]ethanol is OC(CNCCC1=CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]ethanol?
The InChIKey is VDILAXDHEDVHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-14-7-5-13(6-8-14)15(18)11-17-10-9-12-3-1-2-4-12/h3,5-8,15,17-18H,1-2,4,9-11H2.
What are the key properties of 1-(4-chlorophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]ethanol?
1-(4-chlorophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]ethanol has a molecular weight of 265.78 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]ethanol is sourced from PubChem (CID 114153912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).