[2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanamine

C15H24N2O — CID 54882055

IUPAC[2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanamine
SMILESCC1CCCN1CCCOc1ccccc1CN
InChIInChI=1S/C15H24N2O/c1-13-6-4-9-17(13)10-5-11-18-15-8-3-2-7-14(15)12-16/h2-3,7-8,13H,4-6,9-12,16H2,1H3
InChIKeyHZMOAFRVKPFHNB-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.40
Rot. Bonds6

About [2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanamine

[2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanamine (PubChem CID 54882055) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanamine
PubChem CID54882055
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanamine
SMILESCC1CCCN1CCCOc1ccccc1CN
InChIInChI=1S/C15H24N2O/c1-13-6-4-9-17(13)10-5-11-18-15-8-3-2-7-14(15)12-16/h2-3,7-8,13H,4-6,9-12,16H2,1H3
InChIKeyHZMOAFRVKPFHNB-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
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

[2-[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propoxy]phenyl]methanamine
CID 82752031
2-[3-(2-methylpyrrolidin-1-yl)propoxy]benzonitrile
CID 54882660
N-[[2-[2-(2-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 62438792
2-methyl-1-[6-(2-methylphenoxy)hexyl]piperidine
CID 16616246
[2-[3-(4-ethoxypiperidin-1-yl)propoxy]phenyl]methanamine
CID 61218601
1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine
CID 75030496
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
[2-[2-(2-methylazepan-1-yl)ethyl]phenyl]methanamine
CID 81321986
[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 43253349
[2-[2-(1-methylazetidin-3-yl)ethoxy]phenyl]methanamine
CID 84686072
(4,4-difluoropiperidin-1-yl)-[2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanone
CID 90685177
2-[3-(2-ethylpyrrolidin-1-yl)propoxy]aniline
CID 54882910

Frequently Asked Questions

What is the IUPAC name of [2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanamine?
The IUPAC name of [2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanamine (CID 54882055) is [2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanamine.
What is the SMILES notation for [2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanamine?
The canonical SMILES for [2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanamine is CC1CCCN1CCCOc1ccccc1CN.
What is the InChIKey of [2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanamine?
The InChIKey is HZMOAFRVKPFHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13-6-4-9-17(13)10-5-11-18-15-8-3-2-7-14(15)12-16/h2-3,7-8,13H,4-6,9-12,16H2,1H3.
What are the key properties of [2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanamine?
[2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanamine is sourced from PubChem (CID 54882055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).