5-methyl-2-[1-[3-(2-methylpropoxy)propylamino]ethyl]phenol

C16H27NO2 — CID 43205853

IUPAC5-methyl-2-[1-[3-(2-methylpropoxy)propylamino]ethyl]phenol
SMILESCc1ccc(C(C)NCCCOCC(C)C)c(O)c1
InChIInChI=1S/C16H27NO2/c1-12(2)11-19-9-5-8-17-14(4)15-7-6-13(3)10-16(15)18/h6-7,10,12,14,17-18H,5,8-9,11H2,1-4H3
InChIKeyCPRCSZDQOHZIJQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.41
Rot. Bonds8

About 5-methyl-2-[1-[3-(2-methylpropoxy)propylamino]ethyl]phenol

5-methyl-2-[1-[3-(2-methylpropoxy)propylamino]ethyl]phenol (PubChem CID 43205853) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-methyl-2-[1-[3-(2-methylpropoxy)propylamino]ethyl]phenol.

Molecular Properties

Compound Name5-methyl-2-[1-[3-(2-methylpropoxy)propylamino]ethyl]phenol
PubChem CID43205853
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name5-methyl-2-[1-[3-(2-methylpropoxy)propylamino]ethyl]phenol
SMILESCc1ccc(C(C)NCCCOCC(C)C)c(O)c1
InChIInChI=1S/C16H27NO2/c1-12(2)11-19-9-5-8-17-14(4)15-7-6-13(3)10-16(15)18/h6-7,10,12,14,17-18H,5,8-9,11H2,1-4H3
InChIKeyCPRCSZDQOHZIJQ-UHFFFAOYSA-N
XLogP3.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenol
CID 104582004
2-[1-(3-methoxypropylamino)ethyl]-5-methylphenol
CID 43205159
N-[1-(2,5-dimethylphenyl)ethyl]-3-(2-methylpropoxy)propan-1-amine
CID 43105785
2-[1-[4-(2-methoxyethoxy)butylamino]ethyl]-5-methylphenol
CID 104582144
5-methyl-2-[1-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]phenol
CID 43205737
2-[1-(4-aminobutylamino)ethyl]-5-methylphenol
CID 60895616
2-[1-(5-hydroxypentylamino)ethyl]-5-methylphenol
CID 107303108
5-methyl-2-[1-(6-methylsulfanylhexylamino)ethyl]phenol
CID 104584212
3-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanamide
CID 43553192
2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol
CID 61169320
2-[1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]ethyl]-5-methylphenol
CID 104581513
2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methylphenol
CID 104582213

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-[3-(2-methylpropoxy)propylamino]ethyl]phenol?
The IUPAC name of 5-methyl-2-[1-[3-(2-methylpropoxy)propylamino]ethyl]phenol (CID 43205853) is 5-methyl-2-[1-[3-(2-methylpropoxy)propylamino]ethyl]phenol.
What is the SMILES notation for 5-methyl-2-[1-[3-(2-methylpropoxy)propylamino]ethyl]phenol?
The canonical SMILES for 5-methyl-2-[1-[3-(2-methylpropoxy)propylamino]ethyl]phenol is Cc1ccc(C(C)NCCCOCC(C)C)c(O)c1.
What is the InChIKey of 5-methyl-2-[1-[3-(2-methylpropoxy)propylamino]ethyl]phenol?
The InChIKey is CPRCSZDQOHZIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(2)11-19-9-5-8-17-14(4)15-7-6-13(3)10-16(15)18/h6-7,10,12,14,17-18H,5,8-9,11H2,1-4H3.
What are the key properties of 5-methyl-2-[1-[3-(2-methylpropoxy)propylamino]ethyl]phenol?
5-methyl-2-[1-[3-(2-methylpropoxy)propylamino]ethyl]phenol has a molecular weight of 265.40 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-[3-(2-methylpropoxy)propylamino]ethyl]phenol is sourced from PubChem (CID 43205853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).