3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine

C15H24N2O — CID 14026189

IUPAC3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine
SMILESCC1CCN(Cc2cccc(OCCCN)c2)C1
InChIInChI=1S/C15H24N2O/c1-13-6-8-17(11-13)12-14-4-2-5-15(10-14)18-9-3-7-16/h2,4-5,10,13H,3,6-9,11-12,16H2,1H3
InChIKeyIYMUZPSDPZFFAU-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.26
Rot. Bonds6

About 3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine

3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine (PubChem CID 14026189) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine.

Molecular Properties

Compound Name3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine
PubChem CID14026189
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine
SMILESCC1CCN(Cc2cccc(OCCCN)c2)C1
InChIInChI=1S/C15H24N2O/c1-13-6-8-17(11-13)12-14-4-2-5-15(10-14)18-9-3-7-16/h2,4-5,10,13H,3,6-9,11-12,16H2,1H3
InChIKeyIYMUZPSDPZFFAU-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(azepan-1-ylmethyl)phenoxy]propan-1-amine
CID 14625124
[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 61224005
[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 43253311
3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732597
(3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882936
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320
[3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]methanamine
CID 63623878
1-[3-(aminomethyl)phenoxy]-3-(3-methylpyrrolidin-1-yl)propan-2-ol
CID 61221833
[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 43253572
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]benzonitrile
CID 58395433
1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678030

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine?
The IUPAC name of 3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine (CID 14026189) is 3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine.
What is the SMILES notation for 3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine?
The canonical SMILES for 3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine is CC1CCN(Cc2cccc(OCCCN)c2)C1.
What is the InChIKey of 3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine?
The InChIKey is IYMUZPSDPZFFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13-6-8-17(11-13)12-14-4-2-5-15(10-14)18-9-3-7-16/h2,4-5,10,13H,3,6-9,11-12,16H2,1H3.
What are the key properties of 3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine?
3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine is sourced from PubChem (CID 14026189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).