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

C16H27NO3 — CID 103401421

IUPAC1-[3-(2-methoxyethoxy)propoxy]-1-(3-methylphenyl)propan-2-amine
SMILESCOCCOCCCOC(c1cccc(C)c1)C(C)N
InChIInChI=1S/C16H27NO3/c1-13-6-4-7-15(12-13)16(14(2)17)20-9-5-8-19-11-10-18-3/h4,6-7,12,14,16H,5,8-11,17H2,1-3H3
InChIKeyYSPFUYBLPKPHGB-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.45
Rot. Bonds10

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

1-[3-(2-methoxyethoxy)propoxy]-1-(3-methylphenyl)propan-2-amine (PubChem CID 103401421) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)propoxy]-1-(3-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)propoxy]-1-(3-methylphenyl)propan-2-amine
PubChem CID103401421
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-[3-(2-methoxyethoxy)propoxy]-1-(3-methylphenyl)propan-2-amine
SMILESCOCCOCCCOC(c1cccc(C)c1)C(C)N
InChIInChI=1S/C16H27NO3/c1-13-6-4-7-15(12-13)16(14(2)17)20-9-5-8-19-11-10-18-3/h4,6-7,12,14,16H,5,8-11,17H2,1-3H3
InChIKeyYSPFUYBLPKPHGB-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
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-[2-(2-methoxyethoxy)ethoxy]-1-(3-methylphenyl)propan-2-amine
CID 104560177
1-(3-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine
CID 103401330
1-(3-methylphenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine
CID 55020762
1-(4-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine
CID 103401203
1-(3-chlorophenyl)-1-(3-methoxypropoxy)propan-2-amine
CID 55019323
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-methoxy-2-(2-methoxyethoxy)ethane;1,3-xylene
CID 69199580
1-[1-bromo-5-(2-methoxyethoxy)pentan-2-yl]-3-methylbenzene
CID 103415429
1-[2-(3-methoxypropoxy)ethoxy]-1-(2-methylphenyl)propan-2-amine
CID 103176903
1-[2-bromo-1-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-methylbenzene
CID 113427330
1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine
CID 55020131

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)propoxy]-1-(3-methylphenyl)propan-2-amine?
The IUPAC name of 1-[3-(2-methoxyethoxy)propoxy]-1-(3-methylphenyl)propan-2-amine (CID 103401421) is 1-[3-(2-methoxyethoxy)propoxy]-1-(3-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)propoxy]-1-(3-methylphenyl)propan-2-amine?
The canonical SMILES for 1-[3-(2-methoxyethoxy)propoxy]-1-(3-methylphenyl)propan-2-amine is COCCOCCCOC(c1cccc(C)c1)C(C)N.
What is the InChIKey of 1-[3-(2-methoxyethoxy)propoxy]-1-(3-methylphenyl)propan-2-amine?
The InChIKey is YSPFUYBLPKPHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-13-6-4-7-15(12-13)16(14(2)17)20-9-5-8-19-11-10-18-3/h4,6-7,12,14,16H,5,8-11,17H2,1-3H3.
What are the key properties of 1-[3-(2-methoxyethoxy)propoxy]-1-(3-methylphenyl)propan-2-amine?
1-[3-(2-methoxyethoxy)propoxy]-1-(3-methylphenyl)propan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 2.45, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)propoxy]-1-(3-methylphenyl)propan-2-amine is sourced from PubChem (CID 103401421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).