2-(1-benzyl-2-methylpyrrolidin-3-yl)ethanamine

C14H22N2 — CID 83849332

IUPAC2-(1-benzyl-2-methylpyrrolidin-3-yl)ethanamine
SMILESCC1C(CCN)CCN1Cc1ccccc1
InChIInChI=1S/C14H22N2/c1-12-14(7-9-15)8-10-16(12)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11,15H2,1H3
InChIKeyKJWTVJVJCHEAOI-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.25
Rot. Bonds4

About 2-(1-benzyl-2-methylpyrrolidin-3-yl)ethanamine

2-(1-benzyl-2-methylpyrrolidin-3-yl)ethanamine (PubChem CID 83849332) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-(1-benzyl-2-methylpyrrolidin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-benzyl-2-methylpyrrolidin-3-yl)ethanamine
PubChem CID83849332
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-(1-benzyl-2-methylpyrrolidin-3-yl)ethanamine
SMILESCC1C(CCN)CCN1Cc1ccccc1
InChIInChI=1S/C14H22N2/c1-12-14(7-9-15)8-10-16(12)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11,15H2,1H3
InChIKeyKJWTVJVJCHEAOI-UHFFFAOYSA-N
XLogP2.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzyl-2-methylpiperidin-3-yl)ethanamine
CID 83850522
2-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]ethanamine
CID 83488247
1-benzyl-3-chloro-2-methylpyrrolidine
CID 67849385
(2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126557725
(2S,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126524305
1-(1-benzyl-2-methylpyrrolidin-3-yl)pyrrole
CID 130559023
1-benzyl-2-methyl-3-phenylmethoxypyrrolidine
CID 68728414
2-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanamine
CID 68756665
methyl (2R,3S,4R)-1-benzyl-4-hydroxy-2-methylpiperidine-3-carboxylate
CID 129407469
1-benzyl-4-methyl-3,4-dihydro-2H-pyridine
CID 59011780
2-methyl-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-amine
CID 174891320
N'-(1-benzyl-2-methylpyrrolidin-3-yl)propanimidamide
CID 130559040

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-2-methylpyrrolidin-3-yl)ethanamine?
The IUPAC name of 2-(1-benzyl-2-methylpyrrolidin-3-yl)ethanamine (CID 83849332) is 2-(1-benzyl-2-methylpyrrolidin-3-yl)ethanamine.
What is the SMILES notation for 2-(1-benzyl-2-methylpyrrolidin-3-yl)ethanamine?
The canonical SMILES for 2-(1-benzyl-2-methylpyrrolidin-3-yl)ethanamine is CC1C(CCN)CCN1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-2-methylpyrrolidin-3-yl)ethanamine?
The InChIKey is KJWTVJVJCHEAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12-14(7-9-15)8-10-16(12)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11,15H2,1H3.
What are the key properties of 2-(1-benzyl-2-methylpyrrolidin-3-yl)ethanamine?
2-(1-benzyl-2-methylpyrrolidin-3-yl)ethanamine has a molecular weight of 218.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-2-methylpyrrolidin-3-yl)ethanamine is sourced from PubChem (CID 83849332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).