3-methyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-ol

C15H24N2O — CID 103356921

IUPAC3-methyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-ol
SMILESCCCNCc1ccccc1N1CCC(C)(O)C1
InChIInChI=1S/C15H24N2O/c1-3-9-16-11-13-6-4-5-7-14(13)17-10-8-15(2,18)12-17/h4-7,16,18H,3,8-12H2,1-2H3
InChIKeyFEYJTJFDEGNQQE-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.15
Rot. Bonds5

About 3-methyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-ol

3-methyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-ol (PubChem CID 103356921) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-methyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-ol
PubChem CID103356921
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-methyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-ol
SMILESCCCNCc1ccccc1N1CCC(C)(O)C1
InChIInChI=1S/C15H24N2O/c1-3-9-16-11-13-6-4-5-7-14(13)17-10-8-15(2,18)12-17/h4-7,16,18H,3,8-12H2,1-2H3
InChIKeyFEYJTJFDEGNQQE-UHFFFAOYSA-N
XLogP2.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-chloro-4-(propylaminomethyl)phenyl]-3-methylpyrrolidin-3-ol
CID 103356931
N-[[2-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 62932460
N-[[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 43585499
1-[1-[2-(propylaminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106836661
N-[[2-(4-methyl-1,4-diazepan-1-yl)phenyl]methyl]propan-1-amine
CID 43281328
1-[2-(propylaminomethyl)phenyl]-1,4-diazepan-5-one
CID 63004166
N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-amine
CID 63165160
[1-[2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 43590495
2-methoxy-N-[[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 63635351
N-[[2-(3-methoxypiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 102961556
N-[[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63551607
N-[[2-(2,2-dimethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63060233

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-ol (CID 103356921) is 3-methyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-ol is CCCNCc1ccccc1N1CCC(C)(O)C1.
What is the InChIKey of 3-methyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-ol?
The InChIKey is FEYJTJFDEGNQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-9-16-11-13-6-4-5-7-14(13)17-10-8-15(2,18)12-17/h4-7,16,18H,3,8-12H2,1-2H3.
What are the key properties of 3-methyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-ol?
3-methyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-ol has a molecular weight of 248.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 103356921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).