1-(3-phenoxypropyl)-N-propylpyrrolidin-3-amine

C16H26N2O — CID 55068553

IUPAC1-(3-phenoxypropyl)-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(CCCOc2ccccc2)C1
InChIInChI=1S/C16H26N2O/c1-2-10-17-15-9-12-18(14-15)11-6-13-19-16-7-4-3-5-8-16/h3-5,7-8,15,17H,2,6,9-14H2,1H3
InChIKeyKRILIUXJIQGMCR-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.53
Rot. Bonds8

About 1-(3-phenoxypropyl)-N-propylpyrrolidin-3-amine

1-(3-phenoxypropyl)-N-propylpyrrolidin-3-amine (PubChem CID 55068553) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(3-phenoxypropyl)-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-phenoxypropyl)-N-propylpyrrolidin-3-amine
PubChem CID55068553
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(3-phenoxypropyl)-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(CCCOc2ccccc2)C1
InChIInChI=1S/C16H26N2O/c1-2-10-17-15-9-12-18(14-15)11-6-13-19-16-7-4-3-5-8-16/h3-5,7-8,15,17H,2,6,9-14H2,1H3
InChIKeyKRILIUXJIQGMCR-UHFFFAOYSA-N
XLogP2.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.53
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-ethyl-1-(3-phenoxypropyl)pyrrolidine
CID 126692357
1-(2-ethoxyethyl)-N-propylpyrrolidin-3-amine
CID 43591122
1-[2-(2-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 43315228
[4-methyl-1-(3-phenoxypropyl)piperidin-3-yl]methanamine
CID 114876398
N-propyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 60860967
N-methyl-1-[1-(3-phenoxypropyl)piperidin-3-yl]ethanamine
CID 63854102
1-(2-propan-2-yloxyethyl)-N-propylpyrrolidin-3-amine
CID 104761908
3-(3-phenoxypropyl)-3-azabicyclo[3.1.0]hexane
CID 91429210
3-(3-phenoxypropyl)-3-azabicyclo[3.2.2]nonane
CID 97356188
1-ethyl-4-(3-phenoxypropyl)piperazine
CID 51072960
N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine
CID 19018032
(3R)-1-(3-phenoxypropyl)piperidin-3-amine
CID 102977310

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxypropyl)-N-propylpyrrolidin-3-amine?
The IUPAC name of 1-(3-phenoxypropyl)-N-propylpyrrolidin-3-amine (CID 55068553) is 1-(3-phenoxypropyl)-N-propylpyrrolidin-3-amine.
What is the SMILES notation for 1-(3-phenoxypropyl)-N-propylpyrrolidin-3-amine?
The canonical SMILES for 1-(3-phenoxypropyl)-N-propylpyrrolidin-3-amine is CCCNC1CCN(CCCOc2ccccc2)C1.
What is the InChIKey of 1-(3-phenoxypropyl)-N-propylpyrrolidin-3-amine?
The InChIKey is KRILIUXJIQGMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-10-17-15-9-12-18(14-15)11-6-13-19-16-7-4-3-5-8-16/h3-5,7-8,15,17H,2,6,9-14H2,1H3.
What are the key properties of 1-(3-phenoxypropyl)-N-propylpyrrolidin-3-amine?
1-(3-phenoxypropyl)-N-propylpyrrolidin-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxypropyl)-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 55068553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).