[2-[2-(3-ethylpyrrolidin-1-yl)ethyl]phenyl]methanamine

C15H24N2 — CID 113417886

IUPAC[2-[2-(3-ethylpyrrolidin-1-yl)ethyl]phenyl]methanamine
SMILESCCC1CCN(CCc2ccccc2CN)C1
InChIInChI=1S/C15H24N2/c1-2-13-7-9-17(12-13)10-8-14-5-3-4-6-15(14)11-16/h3-6,13H,2,7-12,16H2,1H3
InChIKeyUJZAQBZSLALVGA-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.42
Rot. Bonds5

About [2-[2-(3-ethylpyrrolidin-1-yl)ethyl]phenyl]methanamine

[2-[2-(3-ethylpyrrolidin-1-yl)ethyl]phenyl]methanamine (PubChem CID 113417886) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is [2-[2-(3-ethylpyrrolidin-1-yl)ethyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[2-(3-ethylpyrrolidin-1-yl)ethyl]phenyl]methanamine
PubChem CID113417886
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name[2-[2-(3-ethylpyrrolidin-1-yl)ethyl]phenyl]methanamine
SMILESCCC1CCN(CCc2ccccc2CN)C1
InChIInChI=1S/C15H24N2/c1-2-13-7-9-17(12-13)10-8-14-5-3-4-6-15(14)11-16/h3-6,13H,2,7-12,16H2,1H3
InChIKeyUJZAQBZSLALVGA-UHFFFAOYSA-N
XLogP2.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]phenyl]methanamine
CID 106587342
[2-[2-(2-ethylmorpholin-4-yl)ethyl]phenyl]methanamine
CID 81321825
[2-[2-(3-propoxypiperidin-1-yl)ethyl]phenyl]methanamine
CID 81322503
[2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]phenyl]methanamine
CID 115560349
2-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115884823
2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline
CID 64570830
[2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]phenyl]methanamine
CID 81322728
[2-[2-(2-ethylazepan-1-yl)ethyl]phenyl]methanamine
CID 104690285
1-benzyl-3-ethylpyrrolidine
CID 12648208
[2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]methanamine
CID 81322429
3-ethyl-1-(3-phenoxypropyl)pyrrolidine
CID 126692357
1-(2-chlorophenyl)-3-(3-ethylpyrrolidin-1-yl)propan-1-amine
CID 113418867

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-ethylpyrrolidin-1-yl)ethyl]phenyl]methanamine?
The IUPAC name of [2-[2-(3-ethylpyrrolidin-1-yl)ethyl]phenyl]methanamine (CID 113417886) is [2-[2-(3-ethylpyrrolidin-1-yl)ethyl]phenyl]methanamine.
What is the SMILES notation for [2-[2-(3-ethylpyrrolidin-1-yl)ethyl]phenyl]methanamine?
The canonical SMILES for [2-[2-(3-ethylpyrrolidin-1-yl)ethyl]phenyl]methanamine is CCC1CCN(CCc2ccccc2CN)C1.
What is the InChIKey of [2-[2-(3-ethylpyrrolidin-1-yl)ethyl]phenyl]methanamine?
The InChIKey is UJZAQBZSLALVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-2-13-7-9-17(12-13)10-8-14-5-3-4-6-15(14)11-16/h3-6,13H,2,7-12,16H2,1H3.
What are the key properties of [2-[2-(3-ethylpyrrolidin-1-yl)ethyl]phenyl]methanamine?
[2-[2-(3-ethylpyrrolidin-1-yl)ethyl]phenyl]methanamine has a molecular weight of 232.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-ethylpyrrolidin-1-yl)ethyl]phenyl]methanamine is sourced from PubChem (CID 113417886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).