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

C14H22N2 — CID 83227586

IUPAC2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]aniline
SMILESCCC1CCC(C)N1Cc1ccccc1N
InChIInChI=1S/C14H22N2/c1-3-13-9-8-11(2)16(13)10-12-6-4-5-7-14(12)15/h4-7,11,13H,3,8-10,15H2,1-2H3
InChIKeyFNPYAHXEJPILAW-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.03
Rot. Bonds3

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

2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]aniline (PubChem CID 83227586) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]aniline.

Molecular Properties

Compound Name2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]aniline
PubChem CID83227586
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]aniline
SMILESCCC1CCC(C)N1Cc1ccccc1N
InChIInChI=1S/C14H22N2/c1-3-13-9-8-11(2)16(13)10-12-6-4-5-7-14(12)15/h4-7,11,13H,3,8-10,15H2,1-2H3
InChIKeyFNPYAHXEJPILAW-UHFFFAOYSA-N
XLogP3.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine
CID 83218867
3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyridin-2-amine
CID 83221609
N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 83220031
2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]quinolin-4-amine
CID 83219995
2-(2-ethyl-5-methylpyrrolidin-1-yl)aniline
CID 83218413
[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine
CID 83219044
[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 83227678
8-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 83220695
2-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propyl]aniline
CID 107274621
5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxyaniline
CID 83227764
1-[(4-bromophenyl)methyl]-2-ethyl-5-methylpyrrolidine
CID 83220677
3-chloro-2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenol
CID 83224793

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]aniline?
The IUPAC name of 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]aniline (CID 83227586) is 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]aniline.
What is the SMILES notation for 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]aniline?
The canonical SMILES for 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]aniline is CCC1CCC(C)N1Cc1ccccc1N.
What is the InChIKey of 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]aniline?
The InChIKey is FNPYAHXEJPILAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-13-9-8-11(2)16(13)10-12-6-4-5-7-14(12)15/h4-7,11,13H,3,8-10,15H2,1-2H3.
What are the key properties of 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]aniline?
2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]aniline has a molecular weight of 218.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]aniline is sourced from PubChem (CID 83227586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).