1-[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]propan-2-amine

C16H27NO3 — CID 103411586

IUPAC1-[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]propan-2-amine
SMILESCOCCOCCCOc1c(C)cccc1CC(C)N
InChIInChI=1S/C16H27NO3/c1-13-6-4-7-15(12-14(2)17)16(13)20-9-5-8-19-11-10-18-3/h4,6-7,14H,5,8-12,17H2,1-3H3
InChIKeyHNIOFAADPIYHPL-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.32
Rot. Bonds10

About 1-[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]propan-2-amine

1-[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]propan-2-amine (PubChem CID 103411586) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]propan-2-amine
PubChem CID103411586
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]propan-2-amine
SMILESCOCCOCCCOc1c(C)cccc1CC(C)N
InChIInChI=1S/C16H27NO3/c1-13-6-4-7-15(12-14(2)17)16(13)20-9-5-8-19-11-10-18-3/h4,6-7,14H,5,8-12,17H2,1-3H3
InChIKeyHNIOFAADPIYHPL-UHFFFAOYSA-N
XLogP2.32
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]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

1-(3-methyl-2-pentoxyphenyl)propan-2-amine
CID 112615361
1-[3-methyl-2-(3-methylsulfanylpropoxy)phenyl]propan-2-amine
CID 113474040
1-[3-methyl-2-(3-phenylpropoxy)phenyl]propan-2-amine
CID 115958003
2-[2-[2-(3-methoxypropoxy)ethoxy]-3-methylphenyl]ethanamine
CID 103181898
1-[3-chloro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615570
1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615799
1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797
1-[5-bromo-2-[2-(3-methoxypropoxy)ethoxy]-3-methylphenyl]propan-2-amine
CID 103181908
1-[4-[2-(3-methoxypropoxy)ethoxy]-3,5-dimethylphenyl]propan-2-amine
CID 103181855
1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine
CID 60907501
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene
CID 83057558
[2-(3-methoxypropoxy)-3-methylphenyl]methanamine
CID 112607496

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]propan-2-amine?
The IUPAC name of 1-[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]propan-2-amine (CID 103411586) is 1-[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]propan-2-amine?
The canonical SMILES for 1-[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]propan-2-amine is COCCOCCCOc1c(C)cccc1CC(C)N.
What is the InChIKey of 1-[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]propan-2-amine?
The InChIKey is HNIOFAADPIYHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-13-6-4-7-15(12-14(2)17)16(13)20-9-5-8-19-11-10-18-3/h4,6-7,14H,5,8-12,17H2,1-3H3.
What are the key properties of 1-[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]propan-2-amine?
1-[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]propan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 2.32, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]propan-2-amine is sourced from PubChem (CID 103411586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).