1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine

C16H25NO2 — CID 65164886

IUPAC1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine
SMILESCc1ccc(OCCC2CCCO2)c(CC(C)N)c1
InChIInChI=1S/C16H25NO2/c1-12-5-6-16(14(10-12)11-13(2)17)19-9-7-15-4-3-8-18-15/h5-6,10,13,15H,3-4,7-9,11,17H2,1-2H3
InChIKeyZVPLMIQQSHYSHG-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.83
Rot. Bonds6

About 1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine

1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine (PubChem CID 65164886) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine
PubChem CID65164886
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine
SMILESCc1ccc(OCCC2CCCO2)c(CC(C)N)c1
InChIInChI=1S/C16H25NO2/c1-12-5-6-16(14(10-12)11-13(2)17)19-9-7-15-4-3-8-18-15/h5-6,10,13,15H,3-4,7-9,11,17H2,1-2H3
InChIKeyZVPLMIQQSHYSHG-UHFFFAOYSA-N
XLogP2.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine 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-[[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 65158505
1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158929
(1S)-1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 79004695
1-[5-methyl-2-[3-(oxolan-2-yl)propoxy]phenyl]butan-2-amine
CID 65164133
2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane
CID 65161378
[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]boronic acid
CID 65162445
1-[4-methyl-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine
CID 65158556
1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine
CID 65164633
1-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60907979
1-[3-chloro-4-[3-(oxolan-2-yl)propoxy]phenyl]propan-2-amine
CID 65164688
1-[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
CID 107913197
N-ethyl-1-[4-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158607

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine (CID 65164886) is 1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine is Cc1ccc(OCCC2CCCO2)c(CC(C)N)c1.
What is the InChIKey of 1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine?
The InChIKey is ZVPLMIQQSHYSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-5-6-16(14(10-12)11-13(2)17)19-9-7-15-4-3-8-18-15/h5-6,10,13,15H,3-4,7-9,11,17H2,1-2H3.
What are the key properties of 1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine?
1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine is sourced from PubChem (CID 65164886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).