2-[[cyclopropylmethyl(ethyl)amino]methyl]-5-methyl-4-propan-2-ylphenol

C17H27NO — CID 86940060

IUPAC2-[[cyclopropylmethyl(ethyl)amino]methyl]-5-methyl-4-propan-2-ylphenol
SMILESCCN(Cc1cc(C(C)C)c(C)cc1O)CC1CC1
InChIInChI=1S/C17H27NO/c1-5-18(10-14-6-7-14)11-15-9-16(12(2)3)13(4)8-17(15)19/h8-9,12,14,19H,5-7,10-11H2,1-4H3
InChIKeyBNJADYDJRHOXON-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.06
Rot. Bonds6

About 2-[[cyclopropylmethyl(ethyl)amino]methyl]-5-methyl-4-propan-2-ylphenol

2-[[cyclopropylmethyl(ethyl)amino]methyl]-5-methyl-4-propan-2-ylphenol (PubChem CID 86940060) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[[cyclopropylmethyl(ethyl)amino]methyl]-5-methyl-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-[[cyclopropylmethyl(ethyl)amino]methyl]-5-methyl-4-propan-2-ylphenol
PubChem CID86940060
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[[cyclopropylmethyl(ethyl)amino]methyl]-5-methyl-4-propan-2-ylphenol
SMILESCCN(Cc1cc(C(C)C)c(C)cc1O)CC1CC1
InChIInChI=1S/C17H27NO/c1-5-18(10-14-6-7-14)11-15-9-16(12(2)3)13(4)8-17(15)19/h8-9,12,14,19H,5-7,10-11H2,1-4H3
InChIKeyBNJADYDJRHOXON-UHFFFAOYSA-N
XLogP4.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropylmethyl(ethyl)amino]methyl]-5-methyl-4-propan-2-ylphenol?
The IUPAC name of 2-[[cyclopropylmethyl(ethyl)amino]methyl]-5-methyl-4-propan-2-ylphenol (CID 86940060) is 2-[[cyclopropylmethyl(ethyl)amino]methyl]-5-methyl-4-propan-2-ylphenol.
What is the SMILES notation for 2-[[cyclopropylmethyl(ethyl)amino]methyl]-5-methyl-4-propan-2-ylphenol?
The canonical SMILES for 2-[[cyclopropylmethyl(ethyl)amino]methyl]-5-methyl-4-propan-2-ylphenol is CCN(Cc1cc(C(C)C)c(C)cc1O)CC1CC1.
What is the InChIKey of 2-[[cyclopropylmethyl(ethyl)amino]methyl]-5-methyl-4-propan-2-ylphenol?
The InChIKey is BNJADYDJRHOXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-18(10-14-6-7-14)11-15-9-16(12(2)3)13(4)8-17(15)19/h8-9,12,14,19H,5-7,10-11H2,1-4H3.
What are the key properties of 2-[[cyclopropylmethyl(ethyl)amino]methyl]-5-methyl-4-propan-2-ylphenol?
2-[[cyclopropylmethyl(ethyl)amino]methyl]-5-methyl-4-propan-2-ylphenol has a molecular weight of 261.41 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropylmethyl(ethyl)amino]methyl]-5-methyl-4-propan-2-ylphenol is sourced from PubChem (CID 86940060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).