2-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline

C13H20N2 — CID 62497247

IUPAC2-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline
SMILESCC1CCN(CCc2ccccc2N)C1
InChIInChI=1S/C13H20N2/c1-11-6-8-15(10-11)9-7-12-4-2-3-5-13(12)14/h2-5,11H,6-10,14H2,1H3
InChIKeyRNGBBNLPWBXPBR-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.15
Rot. Bonds3

About 2-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline

2-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline (PubChem CID 62497247) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name2-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline
PubChem CID62497247
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline
SMILESCC1CCN(CCc2ccccc2N)C1
InChIInChI=1S/C13H20N2/c1-11-6-8-15(10-11)9-7-12-4-2-3-5-13(12)14/h2-5,11H,6-10,14H2,1H3
InChIKeyRNGBBNLPWBXPBR-UHFFFAOYSA-N
XLogP2.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.15
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-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline
CID 64570830
1-[2-(2-aminophenyl)ethyl]piperidin-4-ol
CID 62495896
2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]aniline
CID 62496588
2-[2-(azocan-1-yl)ethyl]aniline
CID 62495227
2-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline
CID 107274590
2-[2-(3-propoxypiperidin-1-yl)ethyl]aniline
CID 62495233
3-(2-aminophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride
CID 120612122
2-[3-(4-ethoxypiperidin-1-yl)propyl]aniline
CID 107274331
1-[(2-aminophenyl)methyl]-3-methylpiperidin-4-ol
CID 114677986
2-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]aniline
CID 62495237
3-(2-aminophenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 120612330
3-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine
CID 23396966

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline?
The IUPAC name of 2-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline (CID 62497247) is 2-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline.
What is the SMILES notation for 2-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline?
The canonical SMILES for 2-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline is CC1CCN(CCc2ccccc2N)C1.
What is the InChIKey of 2-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline?
The InChIKey is RNGBBNLPWBXPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-6-8-15(10-11)9-7-12-4-2-3-5-13(12)14/h2-5,11H,6-10,14H2,1H3.
What are the key properties of 2-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline?
2-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline has a molecular weight of 204.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline is sourced from PubChem (CID 62497247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).