2-cyclopentyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine

C17H26FNO — CID 82934194

IUPAC2-cyclopentyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(Cc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C17H26FNO/c1-20-11-10-19-13-16(15-4-2-3-5-15)12-14-6-8-17(18)9-7-14/h6-9,15-16,19H,2-5,10-13H2,1H3
InChIKeySPMOZNWELQVWGO-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.41
Rot. Bonds8

About 2-cyclopentyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine

2-cyclopentyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 82934194) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-cyclopentyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
PubChem CID82934194
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name2-cyclopentyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(Cc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C17H26FNO/c1-20-11-10-19-13-16(15-4-2-3-5-15)12-14-6-8-17(18)9-7-14/h6-9,15-16,19H,2-5,10-13H2,1H3
InChIKeySPMOZNWELQVWGO-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.41
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

2-cyclopropyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 104819419
2-cycloheptyl-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 82933178
3-(3-chloro-4-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine
CID 103041197
3-(3-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine
CID 82933905
3-(5-bromo-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine
CID 115926904
N-[2-cyclopropyl-3-(4-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 113456650
2-cyclopentyl-N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)propan-1-amine
CID 112570185
2-cyclopentyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 112570182
2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 62720076
3-(4-bromophenyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 82932863
2-cyclopentyl-N-(2-methoxyethyl)-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053577
3-(4-chlorophenyl)-2-cyclohexyl-N-propylpropan-1-amine
CID 82932711

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 2-cyclopentyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine (CID 82934194) is 2-cyclopentyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 2-cyclopentyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 2-cyclopentyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine is COCCNCC(Cc1ccc(F)cc1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is SPMOZNWELQVWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-20-11-10-19-13-16(15-4-2-3-5-15)12-14-6-8-17(18)9-7-14/h6-9,15-16,19H,2-5,10-13H2,1H3.
What are the key properties of 2-cyclopentyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine?
2-cyclopentyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 82934194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).