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

C17H27NO3 — CID 43205737

IUPAC5-methyl-2-[1-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]phenol
SMILESCc1ccc(C(C)NCCCOCC2CCCO2)c(O)c1
InChIInChI=1S/C17H27NO3/c1-13-6-7-16(17(19)11-13)14(2)18-8-4-9-20-12-15-5-3-10-21-15/h6-7,11,14-15,18-19H,3-5,8-10,12H2,1-2H3
InChIKeySGXHEXYEMCGHHS-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.94
Rot. Bonds8

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

5-methyl-2-[1-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]phenol (PubChem CID 43205737) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-methyl-2-[1-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]phenol.

Molecular Properties

Compound Name5-methyl-2-[1-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]phenol
PubChem CID43205737
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name5-methyl-2-[1-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]phenol
SMILESCc1ccc(C(C)NCCCOCC2CCCO2)c(O)c1
InChIInChI=1S/C17H27NO3/c1-13-6-7-16(17(19)11-13)14(2)18-8-4-9-20-12-15-5-3-10-21-15/h6-7,11,14-15,18-19H,3-5,8-10,12H2,1-2H3
InChIKeySGXHEXYEMCGHHS-UHFFFAOYSA-N
XLogP2.94
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methyl-2-[1-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3,5-dimethylphenyl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 81296850
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43205741
5-methyl-2-[1-[3-(2-methylpropoxy)propylamino]ethyl]phenol
CID 43205853
2-[1-(3-methoxypropylamino)ethyl]-5-methylphenol
CID 43205159
N-[1-(4-iodophenyl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43770023
2-[1-[4-(2-methoxyethoxy)butylamino]ethyl]-5-methylphenol
CID 104582144
1-(2,5-dimethylphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 54917016
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 106756981
3-[1-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]benzonitrile
CID 43770038
5-fluoro-2-[1-(oxolan-2-ylmethylamino)ethyl]phenol
CID 63066355
5-methyl-2-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenol
CID 104582004
2-[1-(4-aminobutylamino)ethyl]-5-methylphenol
CID 60895616

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]phenol?
The IUPAC name of 5-methyl-2-[1-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]phenol (CID 43205737) is 5-methyl-2-[1-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]phenol.
What is the SMILES notation for 5-methyl-2-[1-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]phenol?
The canonical SMILES for 5-methyl-2-[1-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]phenol is Cc1ccc(C(C)NCCCOCC2CCCO2)c(O)c1.
What is the InChIKey of 5-methyl-2-[1-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]phenol?
The InChIKey is SGXHEXYEMCGHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13-6-7-16(17(19)11-13)14(2)18-8-4-9-20-12-15-5-3-10-21-15/h6-7,11,14-15,18-19H,3-5,8-10,12H2,1-2H3.
What are the key properties of 5-methyl-2-[1-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]phenol?
5-methyl-2-[1-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]phenol has a molecular weight of 293.41 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]phenol is sourced from PubChem (CID 43205737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).