2-(3-chloro-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine

C16H23ClFNO — CID 82936076

IUPAC2-(3-chloro-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCC(c1cccc(Cl)c1F)C1CCCC1
InChIInChI=1S/C16H23ClFNO/c1-20-10-9-19-11-14(12-5-2-3-6-12)13-7-4-8-15(17)16(13)18/h4,7-8,12,14,19H,2-3,5-6,9-11H2,1H3
InChIKeyRHASZYMLPIJEDF-UHFFFAOYSA-N
MW299.82 g/mol
LogP3.99
Rot. Bonds7

About 2-(3-chloro-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine

2-(3-chloro-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine (PubChem CID 82936076) has the molecular formula C16H23ClFNO and a molecular weight of 299.82 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine
PubChem CID82936076
Molecular FormulaC16H23ClFNO
Molecular Weight299.82 g/mol
Exact Mass299.15
IUPAC Name2-(3-chloro-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCC(c1cccc(Cl)c1F)C1CCCC1
InChIInChI=1S/C16H23ClFNO/c1-20-10-9-19-11-14(12-5-2-3-6-12)13-7-4-8-15(17)16(13)18/h4,7-8,12,14,19H,2-3,5-6,9-11H2,1H3
InChIKeyRHASZYMLPIJEDF-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-chloro-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine
CID 82936250
2-(3-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 82937282
2-cycloheptyl-N-(2-methoxyethyl)-2-(3-methylphenyl)ethanamine
CID 82933659
2-(4-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 82934214
N-[2-cyclohexyl-2-(2,6-dichlorophenyl)ethyl]propan-1-amine
CID 82933166
2-(cyclohexen-1-yl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 116662419
2-(4-bromophenyl)-2-cycloheptyl-N-(2-methoxyethyl)ethanamine
CID 82934143
2-cyclopentyl-2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 82937094
2-cyclopentyl-2-(3,5-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 82936231
3-(3-chloro-4-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine
CID 103041197
N-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine
CID 64712638
2-(2-chlorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 66438264

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine (CID 82936076) is 2-(3-chloro-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine is COCCNCC(c1cccc(Cl)c1F)C1CCCC1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine?
The InChIKey is RHASZYMLPIJEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNO/c1-20-10-9-19-11-14(12-5-2-3-6-12)13-7-4-8-15(17)16(13)18/h4,7-8,12,14,19H,2-3,5-6,9-11H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine?
2-(3-chloro-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine has a molecular weight of 299.82 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 82936076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).