1-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]-N-methylmethanamine

C17H28N2O — CID 81490979

IUPAC1-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1CCCOc1cc(C)ccc1C
InChIInChI=1S/C17H28N2O/c1-14-7-8-15(2)17(12-14)20-11-5-10-19-9-4-6-16(19)13-18-3/h7-8,12,16,18H,4-6,9-11,13H2,1-3H3
InChIKeyYGTVHTVTYUYDAP-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.76
Rot. Bonds7

About 1-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]-N-methylmethanamine

1-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 81490979) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]-N-methylmethanamine
PubChem CID81490979
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1CCCOc1cc(C)ccc1C
InChIInChI=1S/C17H28N2O/c1-14-7-8-15(2)17(12-14)20-11-5-10-19-9-4-6-16(19)13-18-3/h7-8,12,16,18H,4-6,9-11,13H2,1-3H3
InChIKeyYGTVHTVTYUYDAP-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.76
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

[(2R)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]methanol
CID 62736389
[(2S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]methanol
CID 79028219
3-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62466933
[1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927215
N-methyl-1-[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine
CID 63250259
1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidine-2-carboxylic acid
CID 43442169
1-[3-(2,5-dimethylphenoxy)propyl]piperidine-3-carbaldehyde
CID 62654942
1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine
CID 61295726
1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928465
1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 43441878
3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010535
(2S)-1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 75430248

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]-N-methylmethanamine (CID 81490979) is 1-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]-N-methylmethanamine is CNCC1CCCN1CCCOc1cc(C)ccc1C.
What is the InChIKey of 1-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is YGTVHTVTYUYDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14-7-8-15(2)17(12-14)20-11-5-10-19-9-4-6-16(19)13-18-3/h7-8,12,16,18H,4-6,9-11,13H2,1-3H3.
What are the key properties of 1-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]-N-methylmethanamine?
1-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 81490979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).