5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxyaniline

C15H24N2O — CID 83227764

IUPAC5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxyaniline
SMILESCCC1CCC(C)N1Cc1ccc(OC)c(N)c1
InChIInChI=1S/C15H24N2O/c1-4-13-7-5-11(2)17(13)10-12-6-8-15(18-3)14(16)9-12/h6,8-9,11,13H,4-5,7,10,16H2,1-3H3
InChIKeyQRFPAZWGTRPTJJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.04
Rot. Bonds4

About 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxyaniline

5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxyaniline (PubChem CID 83227764) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxyaniline
PubChem CID83227764
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxyaniline
SMILESCCC1CCC(C)N1Cc1ccc(OC)c(N)c1
InChIInChI=1S/C15H24N2O/c1-4-13-7-5-11(2)17(13)10-12-6-8-15(18-3)14(16)9-12/h6,8-9,11,13H,4-5,7,10,16H2,1-3H3
InChIKeyQRFPAZWGTRPTJJ-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzoic acid
CID 83221179
5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 83227573
4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzonitrile
CID 106788307
[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 83227678
1-[(4-bromophenyl)methyl]-2-ethyl-5-methylpyrrolidine
CID 83220677
3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methoxybenzaldehyde
CID 83219096
1-[(3-amino-4-methoxyphenyl)methyl]-4-methylpiperidine-2,6-dione
CID 62932933
1-[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 83136835
1-[(3-amino-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62942602
5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyaniline
CID 61440178
[1-[(3-amino-4-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777626
N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 83220620

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxyaniline?
The IUPAC name of 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxyaniline (CID 83227764) is 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxyaniline.
What is the SMILES notation for 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxyaniline?
The canonical SMILES for 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxyaniline is CCC1CCC(C)N1Cc1ccc(OC)c(N)c1.
What is the InChIKey of 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxyaniline?
The InChIKey is QRFPAZWGTRPTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-13-7-5-11(2)17(13)10-12-6-8-15(18-3)14(16)9-12/h6,8-9,11,13H,4-5,7,10,16H2,1-3H3.
What are the key properties of 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxyaniline?
5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxyaniline has a molecular weight of 248.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxyaniline is sourced from PubChem (CID 83227764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).