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

C15H25NO3 — CID 104560177

IUPAC1-[2-(2-methoxyethoxy)ethoxy]-1-(3-methylphenyl)propan-2-amine
SMILESCOCCOCCOC(c1cccc(C)c1)C(C)N
InChIInChI=1S/C15H25NO3/c1-12-5-4-6-14(11-12)15(13(2)16)19-10-9-18-8-7-17-3/h4-6,11,13,15H,7-10,16H2,1-3H3
InChIKeyCWORORHZMAYUTP-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.06
Rot. Bonds9

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

1-[2-(2-methoxyethoxy)ethoxy]-1-(3-methylphenyl)propan-2-amine (PubChem CID 104560177) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethoxy]-1-(3-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethoxy]-1-(3-methylphenyl)propan-2-amine
PubChem CID104560177
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[2-(2-methoxyethoxy)ethoxy]-1-(3-methylphenyl)propan-2-amine
SMILESCOCCOCCOC(c1cccc(C)c1)C(C)N
InChIInChI=1S/C15H25NO3/c1-12-5-4-6-14(11-12)15(13(2)16)19-10-9-18-8-7-17-3/h4-6,11,13,15H,7-10,16H2,1-3H3
InChIKeyCWORORHZMAYUTP-UHFFFAOYSA-N
XLogP2.06
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-methoxyethoxy)propoxy]-1-(3-methylphenyl)propan-2-amine
CID 103401421
1-(3-methylphenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine
CID 55020762
1-(3-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine
CID 103401330
1-[2-bromo-1-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-methylbenzene
CID 113427330
1-methoxy-2-(2-methoxyethoxy)ethane;1,3-xylene
CID 69199580
1-(2-ethoxyethoxy)-1-(3-methoxyphenyl)propan-2-amine
CID 55018409
1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine
CID 55020131
1-(3-chlorophenyl)-1-(3-methoxypropoxy)propan-2-amine
CID 55019323
N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]-2-(3-methylphenyl)ethanamine
CID 104565741
3-(2-methoxyethoxy)-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43770898
1-[2-(3-methoxypropoxy)ethoxy]-1-pyridin-3-ylpropan-2-amine
CID 103176909
1-[2-iodo-1-(2-methoxyethoxy)ethyl]-3-methylbenzene
CID 114773155

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethoxy]-1-(3-methylphenyl)propan-2-amine?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethoxy]-1-(3-methylphenyl)propan-2-amine (CID 104560177) is 1-[2-(2-methoxyethoxy)ethoxy]-1-(3-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethoxy]-1-(3-methylphenyl)propan-2-amine?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethoxy]-1-(3-methylphenyl)propan-2-amine is COCCOCCOC(c1cccc(C)c1)C(C)N.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethoxy]-1-(3-methylphenyl)propan-2-amine?
The InChIKey is CWORORHZMAYUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-12-5-4-6-14(11-12)15(13(2)16)19-10-9-18-8-7-17-3/h4-6,11,13,15H,7-10,16H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethoxy]-1-(3-methylphenyl)propan-2-amine?
1-[2-(2-methoxyethoxy)ethoxy]-1-(3-methylphenyl)propan-2-amine has a molecular weight of 267.37 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethoxy]-1-(3-methylphenyl)propan-2-amine is sourced from PubChem (CID 104560177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).