3-[2-cyclopropyl-3-(2-methoxyethylamino)-2-methylpropyl]phenol

C16H25NO2 — CID 83159271

IUPAC3-[2-cyclopropyl-3-(2-methoxyethylamino)-2-methylpropyl]phenol
SMILESCOCCNCC(C)(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C16H25NO2/c1-16(14-6-7-14,12-17-8-9-19-2)11-13-4-3-5-15(18)10-13/h3-5,10,14,17-18H,6-9,11-12H2,1-2H3
InChIKeyDAINAWWSCOEULB-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.59
Rot. Bonds8

About 3-[2-cyclopropyl-3-(2-methoxyethylamino)-2-methylpropyl]phenol

3-[2-cyclopropyl-3-(2-methoxyethylamino)-2-methylpropyl]phenol (PubChem CID 83159271) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[2-cyclopropyl-3-(2-methoxyethylamino)-2-methylpropyl]phenol.

Molecular Properties

Compound Name3-[2-cyclopropyl-3-(2-methoxyethylamino)-2-methylpropyl]phenol
PubChem CID83159271
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[2-cyclopropyl-3-(2-methoxyethylamino)-2-methylpropyl]phenol
SMILESCOCCNCC(C)(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C16H25NO2/c1-16(14-6-7-14,12-17-8-9-19-2)11-13-4-3-5-15(18)10-13/h3-5,10,14,17-18H,6-9,11-12H2,1-2H3
InChIKeyDAINAWWSCOEULB-UHFFFAOYSA-N
XLogP2.59
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.59
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

2-cyclopropyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159546
2-cyclopropyl-3-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159632
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 83160456
2-cyclopropyl-3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159631
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 83150803
4-[2-cyclopropyl-2-methyl-3-(propylamino)propyl]phenol
CID 83159515
2-cyclopropyl-3-(2,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83160271
2-cyclopropyl-N-(2-methoxyethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine
CID 83150816
3-(3-bromothiophen-2-yl)-2-cyclopropyl-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159994
2-cyclopropyl-3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159628
2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine
CID 83159323
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 83160366

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclopropyl-3-(2-methoxyethylamino)-2-methylpropyl]phenol?
The IUPAC name of 3-[2-cyclopropyl-3-(2-methoxyethylamino)-2-methylpropyl]phenol (CID 83159271) is 3-[2-cyclopropyl-3-(2-methoxyethylamino)-2-methylpropyl]phenol.
What is the SMILES notation for 3-[2-cyclopropyl-3-(2-methoxyethylamino)-2-methylpropyl]phenol?
The canonical SMILES for 3-[2-cyclopropyl-3-(2-methoxyethylamino)-2-methylpropyl]phenol is COCCNCC(C)(Cc1cccc(O)c1)C1CC1.
What is the InChIKey of 3-[2-cyclopropyl-3-(2-methoxyethylamino)-2-methylpropyl]phenol?
The InChIKey is DAINAWWSCOEULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(14-6-7-14,12-17-8-9-19-2)11-13-4-3-5-15(18)10-13/h3-5,10,14,17-18H,6-9,11-12H2,1-2H3.
What are the key properties of 3-[2-cyclopropyl-3-(2-methoxyethylamino)-2-methylpropyl]phenol?
3-[2-cyclopropyl-3-(2-methoxyethylamino)-2-methylpropyl]phenol has a molecular weight of 263.38 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclopropyl-3-(2-methoxyethylamino)-2-methylpropyl]phenol is sourced from PubChem (CID 83159271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).