2-(5-methoxy-2-pyrrolidin-1-ylphenyl)propan-1-amine

C14H22N2O — CID 117341151

IUPAC2-(5-methoxy-2-pyrrolidin-1-ylphenyl)propan-1-amine
SMILESCOc1ccc(N2CCCC2)c(C(C)CN)c1
InChIInChI=1S/C14H22N2O/c1-11(10-15)13-9-12(17-2)5-6-14(13)16-7-3-4-8-16/h5-6,9,11H,3-4,7-8,10,15H2,1-2H3
InChIKeyKSISQQOLMUOUTF-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.36
Rot. Bonds4

About 2-(5-methoxy-2-pyrrolidin-1-ylphenyl)propan-1-amine

2-(5-methoxy-2-pyrrolidin-1-ylphenyl)propan-1-amine (PubChem CID 117341151) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(5-methoxy-2-pyrrolidin-1-ylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(5-methoxy-2-pyrrolidin-1-ylphenyl)propan-1-amine
PubChem CID117341151
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(5-methoxy-2-pyrrolidin-1-ylphenyl)propan-1-amine
SMILESCOc1ccc(N2CCCC2)c(C(C)CN)c1
InChIInChI=1S/C14H22N2O/c1-11(10-15)13-9-12(17-2)5-6-14(13)16-7-3-4-8-16/h5-6,9,11H,3-4,7-8,10,15H2,1-2H3
InChIKeyKSISQQOLMUOUTF-UHFFFAOYSA-N
XLogP2.36
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(5-methoxy-2-pyrrolidin-1-ylphenyl)ethanol
CID 117316095
1-(5-methoxy-2-piperidin-1-ylphenyl)propan-2-amine
CID 117374676
methyl 2-hydroxy-2-(5-methoxy-2-piperidin-1-ylphenyl)acetate
CID 117447811
5-methoxy-2-pyrrolidin-1-ylphenol
CID 168512796
2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol
CID 117343468
3-(4-methoxy-2-propan-2-ylphenyl)-1,3-thiazolidine
CID 129289858
5-methoxy-2-piperidin-1-ylbenzoic acid
CID 70528238
2-(2-bromo-4-methoxyphenyl)-2-piperidin-1-ylethanamine
CID 112748975
1-(5-methoxy-2-piperidin-1-ylphenyl)ethanone
CID 117338408
2-(5-methoxy-1-benzothiophen-3-yl)propan-1-amine
CID 117120754
(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 93286235
1-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone
CID 117374092

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-pyrrolidin-1-ylphenyl)propan-1-amine?
The IUPAC name of 2-(5-methoxy-2-pyrrolidin-1-ylphenyl)propan-1-amine (CID 117341151) is 2-(5-methoxy-2-pyrrolidin-1-ylphenyl)propan-1-amine.
What is the SMILES notation for 2-(5-methoxy-2-pyrrolidin-1-ylphenyl)propan-1-amine?
The canonical SMILES for 2-(5-methoxy-2-pyrrolidin-1-ylphenyl)propan-1-amine is COc1ccc(N2CCCC2)c(C(C)CN)c1.
What is the InChIKey of 2-(5-methoxy-2-pyrrolidin-1-ylphenyl)propan-1-amine?
The InChIKey is KSISQQOLMUOUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(10-15)13-9-12(17-2)5-6-14(13)16-7-3-4-8-16/h5-6,9,11H,3-4,7-8,10,15H2,1-2H3.
What are the key properties of 2-(5-methoxy-2-pyrrolidin-1-ylphenyl)propan-1-amine?
2-(5-methoxy-2-pyrrolidin-1-ylphenyl)propan-1-amine has a molecular weight of 234.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-pyrrolidin-1-ylphenyl)propan-1-amine is sourced from PubChem (CID 117341151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).