2-(2-chlorophenyl)-1-(cyclopenten-1-yl)-N-ethylethanamine

C15H20ClN — CID 55034560

IUPAC2-(2-chlorophenyl)-1-(cyclopenten-1-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Cl)C1=CCCC1
InChIInChI=1S/C15H20ClN/c1-2-17-15(12-7-3-4-8-12)11-13-9-5-6-10-14(13)16/h5-7,9-10,15,17H,2-4,8,11H2,1H3
InChIKeyLLMHEYSCHPFWOD-UHFFFAOYSA-N
MW249.78 g/mol
LogP3.97
Rot. Bonds5

About 2-(2-chlorophenyl)-1-(cyclopenten-1-yl)-N-ethylethanamine

2-(2-chlorophenyl)-1-(cyclopenten-1-yl)-N-ethylethanamine (PubChem CID 55034560) has the molecular formula C15H20ClN and a molecular weight of 249.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(cyclopenten-1-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(cyclopenten-1-yl)-N-ethylethanamine
PubChem CID55034560
Molecular FormulaC15H20ClN
Molecular Weight249.78 g/mol
Exact Mass249.13
IUPAC Name2-(2-chlorophenyl)-1-(cyclopenten-1-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Cl)C1=CCCC1
InChIInChI=1S/C15H20ClN/c1-2-17-15(12-7-3-4-8-12)11-13-9-5-6-10-14(13)16/h5-7,9-10,15,17H,2-4,8,11H2,1H3
InChIKeyLLMHEYSCHPFWOD-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexen-1-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 62079589
2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 63415143
1-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 106856990
1-(cyclohexen-1-yl)-N-ethyl-2-naphthalen-2-ylethanamine
CID 106657295
N-[cyclopenten-1-yl(phenyl)methyl]ethanamine
CID 62077860
2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine
CID 63527023
1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 80529053
1-(cyclohexen-1-yl)-N-ethyl-2-pyridin-4-ylethanamine
CID 106652787
2-(2-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 61077645
1-(5-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 63527546
1-(1-benzothiophen-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 43492316

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(cyclopenten-1-yl)-N-ethylethanamine?
The IUPAC name of 2-(2-chlorophenyl)-1-(cyclopenten-1-yl)-N-ethylethanamine (CID 55034560) is 2-(2-chlorophenyl)-1-(cyclopenten-1-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(cyclopenten-1-yl)-N-ethylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-1-(cyclopenten-1-yl)-N-ethylethanamine is CCNC(Cc1ccccc1Cl)C1=CCCC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(cyclopenten-1-yl)-N-ethylethanamine?
The InChIKey is LLMHEYSCHPFWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN/c1-2-17-15(12-7-3-4-8-12)11-13-9-5-6-10-14(13)16/h5-7,9-10,15,17H,2-4,8,11H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-(cyclopenten-1-yl)-N-ethylethanamine?
2-(2-chlorophenyl)-1-(cyclopenten-1-yl)-N-ethylethanamine has a molecular weight of 249.78 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(cyclopenten-1-yl)-N-ethylethanamine is sourced from PubChem (CID 55034560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).