[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]methanamine

C15H23FN2 — CID 83227064

IUPAC[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]methanamine
SMILESCCC1CCC(C)N1Cc1cc(F)cc(CN)c1
InChIInChI=1S/C15H23FN2/c1-3-15-5-4-11(2)18(15)10-13-6-12(9-17)7-14(16)8-13/h6-8,11,15H,3-5,9-10,17H2,1-2H3
InChIKeyQAQYQSDSGWKZCE-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.05
Rot. Bonds4

About [3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]methanamine

[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]methanamine (PubChem CID 83227064) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is [3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]methanamine
PubChem CID83227064
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]methanamine
SMILESCCC1CCC(C)N1Cc1cc(F)cc(CN)c1
InChIInChI=1S/C15H23FN2/c1-3-15-5-4-11(2)18(15)10-13-6-12(9-17)7-14(16)8-13/h6-8,11,15H,3-5,9-10,17H2,1-2H3
InChIKeyQAQYQSDSGWKZCE-UHFFFAOYSA-N
XLogP3.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]methanamine?
The IUPAC name of [3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]methanamine (CID 83227064) is [3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]methanamine.
What is the SMILES notation for [3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]methanamine?
The canonical SMILES for [3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]methanamine is CCC1CCC(C)N1Cc1cc(F)cc(CN)c1.
What is the InChIKey of [3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]methanamine?
The InChIKey is QAQYQSDSGWKZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-15-5-4-11(2)18(15)10-13-6-12(9-17)7-14(16)8-13/h6-8,11,15H,3-5,9-10,17H2,1-2H3.
What are the key properties of [3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]methanamine?
[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]methanamine has a molecular weight of 250.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-5-fluorophenyl]methanamine is sourced from PubChem (CID 83227064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).