2-[(dicyclopropylmethylamino)methyl]-5-methoxyphenol

C15H21NO2 — CID 61268211

IUPAC2-[(dicyclopropylmethylamino)methyl]-5-methoxyphenol
SMILESCOc1ccc(CNC(C2CC2)C2CC2)c(O)c1
InChIInChI=1S/C15H21NO2/c1-18-13-7-6-12(14(17)8-13)9-16-15(10-2-3-10)11-4-5-11/h6-8,10-11,15-17H,2-5,9H2,1H3
InChIKeyUXPXJGIJSDXDPO-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.68
Rot. Bonds6

About 2-[(dicyclopropylmethylamino)methyl]-5-methoxyphenol

2-[(dicyclopropylmethylamino)methyl]-5-methoxyphenol (PubChem CID 61268211) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[(dicyclopropylmethylamino)methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[(dicyclopropylmethylamino)methyl]-5-methoxyphenol
PubChem CID61268211
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[(dicyclopropylmethylamino)methyl]-5-methoxyphenol
SMILESCOc1ccc(CNC(C2CC2)C2CC2)c(O)c1
InChIInChI=1S/C15H21NO2/c1-18-13-7-6-12(14(17)8-13)9-16-15(10-2-3-10)11-4-5-11/h6-8,10-11,15-17H,2-5,9H2,1H3
InChIKeyUXPXJGIJSDXDPO-UHFFFAOYSA-N
XLogP2.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-5-methoxyphenol
CID 63298601
2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268390
2-[(cyclobutylamino)methyl]-5-methoxyphenol
CID 62414161
5-methoxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]phenol
CID 78969051
(2S)-2-[(2-hydroxy-4-methoxyphenyl)methylamino]propanoic acid
CID 11096269
2-[(2-hydroxy-4-methoxyphenyl)methylamino]propanoic acid
CID 61499464
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
1-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43400133
1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol
CID 2845869
2-[(3-cyclopropylpropylamino)methyl]-5-methoxyphenol
CID 115639474
1,1-dicyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 28660596
2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572

Frequently Asked Questions

What is the IUPAC name of 2-[(dicyclopropylmethylamino)methyl]-5-methoxyphenol?
The IUPAC name of 2-[(dicyclopropylmethylamino)methyl]-5-methoxyphenol (CID 61268211) is 2-[(dicyclopropylmethylamino)methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[(dicyclopropylmethylamino)methyl]-5-methoxyphenol?
The canonical SMILES for 2-[(dicyclopropylmethylamino)methyl]-5-methoxyphenol is COc1ccc(CNC(C2CC2)C2CC2)c(O)c1.
What is the InChIKey of 2-[(dicyclopropylmethylamino)methyl]-5-methoxyphenol?
The InChIKey is UXPXJGIJSDXDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-13-7-6-12(14(17)8-13)9-16-15(10-2-3-10)11-4-5-11/h6-8,10-11,15-17H,2-5,9H2,1H3.
What are the key properties of 2-[(dicyclopropylmethylamino)methyl]-5-methoxyphenol?
2-[(dicyclopropylmethylamino)methyl]-5-methoxyphenol has a molecular weight of 247.34 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dicyclopropylmethylamino)methyl]-5-methoxyphenol is sourced from PubChem (CID 61268211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).