5-methoxy-2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]phenol

C16H25NO2 — CID 79357914

IUPAC5-methoxy-2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]phenol
SMILESCOc1ccc(C(C)NC2C(C)(C)C2(C)C)c(O)c1
InChIInChI=1S/C16H25NO2/c1-10(17-14-15(2,3)16(14,4)5)12-8-7-11(19-6)9-13(12)18/h7-10,14,17-18H,1-6H3
InChIKeyZNCZZCATTLZVCM-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.49
Rot. Bonds4

About 5-methoxy-2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]phenol

5-methoxy-2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]phenol (PubChem CID 79357914) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-methoxy-2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]phenol
PubChem CID79357914
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name5-methoxy-2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]phenol
SMILESCOc1ccc(C(C)NC2C(C)(C)C2(C)C)c(O)c1
InChIInChI=1S/C16H25NO2/c1-10(17-14-15(2,3)16(14,4)5)12-8-7-11(19-6)9-13(12)18/h7-10,14,17-18H,1-6H3
InChIKeyZNCZZCATTLZVCM-UHFFFAOYSA-N
XLogP3.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.49
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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5-methoxy-2-[1-(1-phenylethylamino)ethyl]phenol
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5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
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CID 43201039
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CID 104582308

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]phenol (CID 79357914) is 5-methoxy-2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]phenol is COc1ccc(C(C)NC2C(C)(C)C2(C)C)c(O)c1.
What is the InChIKey of 5-methoxy-2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]phenol?
The InChIKey is ZNCZZCATTLZVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-10(17-14-15(2,3)16(14,4)5)12-8-7-11(19-6)9-13(12)18/h7-10,14,17-18H,1-6H3.
What are the key properties of 5-methoxy-2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]phenol?
5-methoxy-2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]phenol has a molecular weight of 263.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]phenol is sourced from PubChem (CID 79357914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).