4-methoxy-2-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol

C15H24N2O2 — CID 28658335

IUPAC4-methoxy-2-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
SMILESCOc1ccc(O)c(CNCCCN2CCCC2)c1
InChIInChI=1S/C15H24N2O2/c1-19-14-5-6-15(18)13(11-14)12-16-7-4-10-17-8-2-3-9-17/h5-6,11,16,18H,2-4,7-10,12H2,1H3
InChIKeyXOAYYMYWLUJCFX-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.98
Rot. Bonds7

About 4-methoxy-2-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol

4-methoxy-2-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol (PubChem CID 28658335) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-methoxy-2-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
PubChem CID28658335
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-methoxy-2-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
SMILESCOc1ccc(O)c(CNCCCN2CCCC2)c1
InChIInChI=1S/C15H24N2O2/c1-19-14-5-6-15(18)13(11-14)12-16-7-4-10-17-8-2-3-9-17/h5-6,11,16,18H,2-4,7-10,12H2,1H3
InChIKeyXOAYYMYWLUJCFX-UHFFFAOYSA-N
XLogP1.98
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[(3-piperidin-1-ylpropylamino)methyl]phenol
CID 55203597
1-[3-(azepan-1-yl)propyl]-3-[(2-hydroxy-5-methoxyphenyl)methyl]-2-methylguanidine
CID 111795853
2-methoxy-4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 28657716
3-[(2-hydroxy-5-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 28654881
2-[(3-hydroxybutylamino)methyl]-4-methoxyphenol
CID 64929896
4-methoxy-2-[(3-phenoxypropylamino)methyl]phenol
CID 62379116
N-[[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 61493816
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-piperidin-1-ylethanamine
CID 102876339
4-chloro-2-methoxy-6-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 104646604
2-[(2-ethoxyethylamino)methyl]-4-methoxyphenol
CID 43590666
2-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenol
CID 28656653
4-fluoro-2-[(2-piperidin-1-ylethylamino)methyl]phenol
CID 103949282

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol?
The IUPAC name of 4-methoxy-2-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol (CID 28658335) is 4-methoxy-2-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol?
The canonical SMILES for 4-methoxy-2-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol is COc1ccc(O)c(CNCCCN2CCCC2)c1.
What is the InChIKey of 4-methoxy-2-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol?
The InChIKey is XOAYYMYWLUJCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-19-14-5-6-15(18)13(11-14)12-16-7-4-10-17-8-2-3-9-17/h5-6,11,16,18H,2-4,7-10,12H2,1H3.
What are the key properties of 4-methoxy-2-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol?
4-methoxy-2-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol has a molecular weight of 264.37 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol is sourced from PubChem (CID 28658335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).