4-methoxy-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenol

C16H25NO2 — CID 79353071

IUPAC4-methoxy-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenol
SMILESCOc1ccc(O)c(CNCC2C(C)(C)C2(C)C)c1
InChIInChI=1S/C16H25NO2/c1-15(2)14(16(15,3)4)10-17-9-11-8-12(19-5)6-7-13(11)18/h6-8,14,17-18H,9-10H2,1-5H3
InChIKeyZLNREVMDWSDQNL-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.17
Rot. Bonds5

About 4-methoxy-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenol

4-methoxy-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenol (PubChem CID 79353071) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-methoxy-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenol
PubChem CID79353071
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-methoxy-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenol
SMILESCOc1ccc(O)c(CNCC2C(C)(C)C2(C)C)c1
InChIInChI=1S/C16H25NO2/c1-15(2)14(16(15,3)4)10-17-9-11-8-12(19-5)6-7-13(11)18/h6-8,14,17-18H,9-10H2,1-5H3
InChIKeyZLNREVMDWSDQNL-UHFFFAOYSA-N
XLogP3.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.17
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

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CID 107411546
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4-methoxy-2-[[(1-methylcyclohexyl)methylamino]methyl]phenol
CID 103923735
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113
2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268390
2-[(3-hydroxybutylamino)methyl]-4-methoxyphenol
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2-[(2-ethoxyethylamino)methyl]-4-methoxyphenol
CID 43590666
4-methoxy-2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]phenol
CID 61003043
4-methoxy-2-[(3-phenoxypropylamino)methyl]phenol
CID 62379116
2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methoxyphenol
CID 62222408
4-methoxy-2-[(2-phenylethylamino)methyl]phenol
CID 28615660
4-methoxy-2-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 28658335

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenol?
The IUPAC name of 4-methoxy-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenol (CID 79353071) is 4-methoxy-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenol?
The canonical SMILES for 4-methoxy-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenol is COc1ccc(O)c(CNCC2C(C)(C)C2(C)C)c1.
What is the InChIKey of 4-methoxy-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenol?
The InChIKey is ZLNREVMDWSDQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-15(2)14(16(15,3)4)10-17-9-11-8-12(19-5)6-7-13(11)18/h6-8,14,17-18H,9-10H2,1-5H3.
What are the key properties of 4-methoxy-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenol?
4-methoxy-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenol has a molecular weight of 263.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenol is sourced from PubChem (CID 79353071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).