[5-(3-ethyl-5-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine

C15H24N2O — CID 117374568

IUPAC[5-(3-ethyl-5-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCCc1cc(OC)cc(C2CC(CN)CN2C)c1
InChIInChI=1S/C15H24N2O/c1-4-11-5-13(8-14(6-11)18-3)15-7-12(9-16)10-17(15)2/h5-6,8,12,15H,4,7,9-10,16H2,1-3H3
InChIKeyYYVMYWIUMKBOIS-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.21
Rot. Bonds4

About [5-(3-ethyl-5-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine

[5-(3-ethyl-5-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117374568) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [5-(3-ethyl-5-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(3-ethyl-5-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117374568
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[5-(3-ethyl-5-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCCc1cc(OC)cc(C2CC(CN)CN2C)c1
InChIInChI=1S/C15H24N2O/c1-4-11-5-13(8-14(6-11)18-3)15-7-12(9-16)10-17(15)2/h5-6,8,12,15H,4,7,9-10,16H2,1-3H3
InChIKeyYYVMYWIUMKBOIS-UHFFFAOYSA-N
XLogP2.21
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(3-ethyl-5-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(3-ethyl-5-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine (CID 117374568) is [5-(3-ethyl-5-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(3-ethyl-5-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(3-ethyl-5-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine is CCc1cc(OC)cc(C2CC(CN)CN2C)c1.
What is the InChIKey of [5-(3-ethyl-5-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is YYVMYWIUMKBOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-11-5-13(8-14(6-11)18-3)15-7-12(9-16)10-17(15)2/h5-6,8,12,15H,4,7,9-10,16H2,1-3H3.
What are the key properties of [5-(3-ethyl-5-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(3-ethyl-5-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-ethyl-5-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117374568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).