2-[2-[2-(3-methylphenoxy)ethyl]pyrrolidin-1-yl]ethanamine

C15H24N2O — CID 112518629

IUPAC2-[2-[2-(3-methylphenoxy)ethyl]pyrrolidin-1-yl]ethanamine
SMILESCc1cccc(OCCC2CCCN2CCN)c1
InChIInChI=1S/C15H24N2O/c1-13-4-2-6-15(12-13)18-11-7-14-5-3-9-17(14)10-8-16/h2,4,6,12,14H,3,5,7-11,16H2,1H3
InChIKeyVBHMPLQMSQAOIP-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.19
Rot. Bonds6

About 2-[2-[2-(3-methylphenoxy)ethyl]pyrrolidin-1-yl]ethanamine

2-[2-[2-(3-methylphenoxy)ethyl]pyrrolidin-1-yl]ethanamine (PubChem CID 112518629) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[2-[2-(3-methylphenoxy)ethyl]pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[2-(3-methylphenoxy)ethyl]pyrrolidin-1-yl]ethanamine
PubChem CID112518629
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[2-[2-(3-methylphenoxy)ethyl]pyrrolidin-1-yl]ethanamine
SMILESCc1cccc(OCCC2CCCN2CCN)c1
InChIInChI=1S/C15H24N2O/c1-13-4-2-6-15(12-13)18-11-7-14-5-3-9-17(14)10-8-16/h2,4,6,12,14H,3,5,7-11,16H2,1H3
InChIKeyVBHMPLQMSQAOIP-UHFFFAOYSA-N
XLogP2.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62467990
[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]methanamine;hydrochloride
CID 119915967
N-methyl-1-[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine
CID 63250259
1-methyl-4-[2-(3-methylphenoxy)ethyl]piperidine
CID 58946190
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
1-[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]ethanamine
CID 63255908
[4-ethyl-1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine
CID 103352976
3-methyl-1-[3-(3-methylphenoxy)propyl]piperidine-2-carboxylic acid
CID 107072339
[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methyl benzenesulfonate
CID 19803901
3-[1-[2-(3-aminophenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62466799
1-[2-(3-methylphenoxy)ethyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62273920
1-[3-(3-methylphenoxy)propyl]piperidine-2-carbaldehyde
CID 62654960

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-methylphenoxy)ethyl]pyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-[2-[2-(3-methylphenoxy)ethyl]pyrrolidin-1-yl]ethanamine (CID 112518629) is 2-[2-[2-(3-methylphenoxy)ethyl]pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-[2-[2-(3-methylphenoxy)ethyl]pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-[2-[2-(3-methylphenoxy)ethyl]pyrrolidin-1-yl]ethanamine is Cc1cccc(OCCC2CCCN2CCN)c1.
What is the InChIKey of 2-[2-[2-(3-methylphenoxy)ethyl]pyrrolidin-1-yl]ethanamine?
The InChIKey is VBHMPLQMSQAOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13-4-2-6-15(12-13)18-11-7-14-5-3-9-17(14)10-8-16/h2,4,6,12,14H,3,5,7-11,16H2,1H3.
What are the key properties of 2-[2-[2-(3-methylphenoxy)ethyl]pyrrolidin-1-yl]ethanamine?
2-[2-[2-(3-methylphenoxy)ethyl]pyrrolidin-1-yl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-methylphenoxy)ethyl]pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 112518629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).