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

C14H22N2O — CID 115040370

IUPAC3-[3-(1-methylpyrrolidin-3-yl)phenoxy]propan-1-amine
SMILESCN1CCC(c2cccc(OCCCN)c2)C1
InChIInChI=1S/C14H22N2O/c1-16-8-6-13(11-16)12-4-2-5-14(10-12)17-9-3-7-15/h2,4-5,10,13H,3,6-9,11,15H2,1H3
InChIKeyBZXLLLZNMWQLHX-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.83
Rot. Bonds5

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

3-[3-(1-methylpyrrolidin-3-yl)phenoxy]propan-1-amine (PubChem CID 115040370) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[3-(1-methylpyrrolidin-3-yl)phenoxy]propan-1-amine.

Molecular Properties

Compound Name3-[3-(1-methylpyrrolidin-3-yl)phenoxy]propan-1-amine
PubChem CID115040370
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-[3-(1-methylpyrrolidin-3-yl)phenoxy]propan-1-amine
SMILESCN1CCC(c2cccc(OCCCN)c2)C1
InChIInChI=1S/C14H22N2O/c1-16-8-6-13(11-16)12-4-2-5-14(10-12)17-9-3-7-15/h2,4-5,10,13H,3,6-9,11,15H2,1H3
InChIKeyBZXLLLZNMWQLHX-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
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-(1-methylpyrrolidin-3-yl)phenoxy]ethanamine
CID 115032201
2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanol
CID 115032728
2-(3-cyclopropylphenoxy)ethanamine
CID 89209631
O-[2-[3-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine
CID 117314821
3-[4-(3-prop-2-ynoxyphenyl)piperidin-1-yl]propan-1-amine
CID 22911572
[4-[3-(1-methylpyrrolidin-3-yl)phenyl]phenyl]methanamine
CID 116988532
(3R)-1,3-dimethyl-4-(3-propoxyphenyl)piperidine
CID 143447260
1-[3-(3-cyclopropylphenoxy)propyl]pyrrolidine
CID 91040173
3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine
CID 117337018
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
CID 176580102
CID 176580102
3-[3-(azetidin-3-yl)phenyl]-1-methylpyrrolidine
CID 116988525

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methylpyrrolidin-3-yl)phenoxy]propan-1-amine?
The IUPAC name of 3-[3-(1-methylpyrrolidin-3-yl)phenoxy]propan-1-amine (CID 115040370) is 3-[3-(1-methylpyrrolidin-3-yl)phenoxy]propan-1-amine.
What is the SMILES notation for 3-[3-(1-methylpyrrolidin-3-yl)phenoxy]propan-1-amine?
The canonical SMILES for 3-[3-(1-methylpyrrolidin-3-yl)phenoxy]propan-1-amine is CN1CCC(c2cccc(OCCCN)c2)C1.
What is the InChIKey of 3-[3-(1-methylpyrrolidin-3-yl)phenoxy]propan-1-amine?
The InChIKey is BZXLLLZNMWQLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16-8-6-13(11-16)12-4-2-5-14(10-12)17-9-3-7-15/h2,4-5,10,13H,3,6-9,11,15H2,1H3.
What are the key properties of 3-[3-(1-methylpyrrolidin-3-yl)phenoxy]propan-1-amine?
3-[3-(1-methylpyrrolidin-3-yl)phenoxy]propan-1-amine has a molecular weight of 234.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methylpyrrolidin-3-yl)phenoxy]propan-1-amine is sourced from PubChem (CID 115040370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).