4-methyl-1-(3-phenoxypropyl)pyrrolidin-3-amine

C14H22N2O — CID 103577059

IUPAC4-methyl-1-(3-phenoxypropyl)pyrrolidin-3-amine
SMILESCC1CN(CCCOc2ccccc2)CC1N
InChIInChI=1S/C14H22N2O/c1-12-10-16(11-14(12)15)8-5-9-17-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11,15H2,1H3
InChIKeyIMHSANBPQMKSOC-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.73
Rot. Bonds5

About 4-methyl-1-(3-phenoxypropyl)pyrrolidin-3-amine

4-methyl-1-(3-phenoxypropyl)pyrrolidin-3-amine (PubChem CID 103577059) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-methyl-1-(3-phenoxypropyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-(3-phenoxypropyl)pyrrolidin-3-amine
PubChem CID103577059
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-methyl-1-(3-phenoxypropyl)pyrrolidin-3-amine
SMILESCC1CN(CCCOc2ccccc2)CC1N
InChIInChI=1S/C14H22N2O/c1-12-10-16(11-14(12)15)8-5-9-17-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11,15H2,1H3
InChIKeyIMHSANBPQMKSOC-UHFFFAOYSA-N
XLogP1.73
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.73
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

1-[3-(3,5-dimethylphenoxy)propyl]-4-methylpyrrolidin-3-amine
CID 103576527
4-methyl-1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-amine
CID 103576883
1-[2-(4-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine
CID 103576954
1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpyrrolidin-3-amine
CID 103576633
(3S,4R)-1-(3-phenoxypropyl)pyrrolidine-3,4-diol
CID 79410528
[4-methyl-1-(3-phenoxypropyl)piperidin-3-yl]methanamine
CID 114876398
3-(3-phenoxypropyl)-3-azabicyclo[3.1.0]hexane
CID 91429210
3-(3-phenoxypropyl)-3-azabicyclo[3.2.2]nonane
CID 97356188
4-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-amine
CID 103576944
(2R)-2-methyl-1-(2-phenoxyethyl)aziridine
CID 122210723
(3R)-1-(3-phenoxypropyl)piperidin-3-amine
CID 102977310
3,5-dimethyl-1-[3-(4-phenylphenoxy)propyl]piperidine
CID 23150265

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-phenoxypropyl)pyrrolidin-3-amine?
The IUPAC name of 4-methyl-1-(3-phenoxypropyl)pyrrolidin-3-amine (CID 103577059) is 4-methyl-1-(3-phenoxypropyl)pyrrolidin-3-amine.
What is the SMILES notation for 4-methyl-1-(3-phenoxypropyl)pyrrolidin-3-amine?
The canonical SMILES for 4-methyl-1-(3-phenoxypropyl)pyrrolidin-3-amine is CC1CN(CCCOc2ccccc2)CC1N.
What is the InChIKey of 4-methyl-1-(3-phenoxypropyl)pyrrolidin-3-amine?
The InChIKey is IMHSANBPQMKSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12-10-16(11-14(12)15)8-5-9-17-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11,15H2,1H3.
What are the key properties of 4-methyl-1-(3-phenoxypropyl)pyrrolidin-3-amine?
4-methyl-1-(3-phenoxypropyl)pyrrolidin-3-amine has a molecular weight of 234.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-phenoxypropyl)pyrrolidin-3-amine is sourced from PubChem (CID 103577059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).