2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine

C15H24N2O — CID 54961021

IUPAC2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
SMILESNCCc1cccc(OCCCN2CCCC2)c1
InChIInChI=1S/C15H24N2O/c16-8-7-14-5-3-6-15(13-14)18-12-4-11-17-9-1-2-10-17/h3,5-6,13H,1-2,4,7-12,16H2
InChIKeyKYJOCFTWIAZFAS-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.05
Rot. Bonds7

About 2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine

2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine (PubChem CID 54961021) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
PubChem CID54961021
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
SMILESNCCc1cccc(OCCCN2CCCC2)c1
InChIInChI=1S/C15H24N2O/c16-8-7-14-5-3-6-15(13-14)18-12-4-11-17-9-1-2-10-17/h3,5-6,13H,1-2,4,7-12,16H2
InChIKeyKYJOCFTWIAZFAS-UHFFFAOYSA-N
XLogP2.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.05
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-(4-methyl-1,4-diazepan-1-yl)propoxy]phenyl]methanamine
CID 43253676
3-[3-(azepan-1-ylmethyl)phenoxy]propan-1-amine
CID 14625124
3-(3-pyrrolidin-1-ylpropoxy)phenol
CID 61494316
N-methyl-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 170714078
2-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80693684
2-methyl-N-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]propan-1-amine
CID 63055726
N-ethyl-N-[3-[3-(3-piperidin-1-ylpropoxy)phenyl]propyl]acetamide
CID 142864877
2-[3,5-dibromo-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 107739417
1-[3-(3-cyclopropylphenoxy)propyl]pyrrolidine
CID 91040173
1-[4-(3-ethylphenoxy)butyl]piperidine;oxalic acid
CID 2922693
4-[3-[3-(aminomethyl)phenoxy]propyl]-1-methyl-1,4-diazepan-2-one
CID 102888609
3-[3-(azocan-1-yl)propoxy]benzonitrile
CID 43288881

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine (CID 54961021) is 2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine is NCCc1cccc(OCCCN2CCCC2)c1.
What is the InChIKey of 2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine?
The InChIKey is KYJOCFTWIAZFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c16-8-7-14-5-3-6-15(13-14)18-12-4-11-17-9-1-2-10-17/h3,5-6,13H,1-2,4,7-12,16H2.
What are the key properties of 2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine?
2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine is sourced from PubChem (CID 54961021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).