2-cyclopentyl-3-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)propan-1-amine

C18H28FNO — CID 105375060

IUPAC2-cyclopentyl-3-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(Cc1cc(F)ccc1C)C1CCCC1
InChIInChI=1S/C18H28FNO/c1-14-7-8-18(19)12-16(14)11-17(13-20-9-10-21-2)15-5-3-4-6-15/h7-8,12,15,17,20H,3-6,9-11,13H2,1-2H3
InChIKeyPFQMSNYFNJASKF-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.72
Rot. Bonds8

About 2-cyclopentyl-3-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)propan-1-amine

2-cyclopentyl-3-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 105375060) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 2-cyclopentyl-3-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-3-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)propan-1-amine
PubChem CID105375060
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name2-cyclopentyl-3-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(Cc1cc(F)ccc1C)C1CCCC1
InChIInChI=1S/C18H28FNO/c1-14-7-8-18(19)12-16(14)11-17(13-20-9-10-21-2)15-5-3-4-6-15/h7-8,12,15,17,20H,3-6,9-11,13H2,1-2H3
InChIKeyPFQMSNYFNJASKF-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.72
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 2-cyclopentyl-3-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)propan-1-amine (CID 105375060) is 2-cyclopentyl-3-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 2-cyclopentyl-3-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 2-cyclopentyl-3-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)propan-1-amine is COCCNCC(Cc1cc(F)ccc1C)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-3-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is PFQMSNYFNJASKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-14-7-8-18(19)12-16(14)11-17(13-20-9-10-21-2)15-5-3-4-6-15/h7-8,12,15,17,20H,3-6,9-11,13H2,1-2H3.
What are the key properties of 2-cyclopentyl-3-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)propan-1-amine?
2-cyclopentyl-3-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 105375060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).