1-(2-methoxy-3,5-dimethylphenyl)-N-(2-methoxyethyl)propan-2-amine

C15H25NO2 — CID 82262565

IUPAC1-(2-methoxy-3,5-dimethylphenyl)-N-(2-methoxyethyl)propan-2-amine
SMILESCOCCNC(C)Cc1cc(C)cc(C)c1OC
InChIInChI=1S/C15H25NO2/c1-11-8-12(2)15(18-5)14(9-11)10-13(3)16-6-7-17-4/h8-9,13,16H,6-7,10H2,1-5H3
InChIKeyXYDGHIWODVJAMS-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.48
Rot. Bonds7

About 1-(2-methoxy-3,5-dimethylphenyl)-N-(2-methoxyethyl)propan-2-amine

1-(2-methoxy-3,5-dimethylphenyl)-N-(2-methoxyethyl)propan-2-amine (PubChem CID 82262565) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(2-methoxy-3,5-dimethylphenyl)-N-(2-methoxyethyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methoxy-3,5-dimethylphenyl)-N-(2-methoxyethyl)propan-2-amine
PubChem CID82262565
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(2-methoxy-3,5-dimethylphenyl)-N-(2-methoxyethyl)propan-2-amine
SMILESCOCCNC(C)Cc1cc(C)cc(C)c1OC
InChIInChI=1S/C15H25NO2/c1-11-8-12(2)15(18-5)14(9-11)10-13(3)16-6-7-17-4/h8-9,13,16H,6-7,10H2,1-5H3
InChIKeyXYDGHIWODVJAMS-UHFFFAOYSA-N
XLogP2.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxy-3,5-dimethylphenyl)-3-(2-methoxyethylamino)butanoic acid
CID 82350914
3-(2-methoxy-3,5-dimethylphenyl)-2-methylpropane-1-thiol
CID 83941900
N-(2-methoxyethyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43190158
2-methoxy-1,5-dimethyl-3-(2-methylbut-3-ynyl)benzene
CID 83941963
1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propan-2-amine
CID 82262530
2-(2-methoxyethylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82314934
ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene
CID 169219679
2-(aminomethyl)-4-(2-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-ol
CID 83941920
1-(2,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43190157
2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]-2-oxoacetic acid
CID 115141461
N-(2-chloroethyl)-2-(2-methoxy-3,5-dimethylphenyl)ethanamine
CID 115215064
N-ethyl-3-(2-methoxy-3,5-dimethylphenyl)propan-1-amine
CID 98014326

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,5-dimethylphenyl)-N-(2-methoxyethyl)propan-2-amine?
The IUPAC name of 1-(2-methoxy-3,5-dimethylphenyl)-N-(2-methoxyethyl)propan-2-amine (CID 82262565) is 1-(2-methoxy-3,5-dimethylphenyl)-N-(2-methoxyethyl)propan-2-amine.
What is the SMILES notation for 1-(2-methoxy-3,5-dimethylphenyl)-N-(2-methoxyethyl)propan-2-amine?
The canonical SMILES for 1-(2-methoxy-3,5-dimethylphenyl)-N-(2-methoxyethyl)propan-2-amine is COCCNC(C)Cc1cc(C)cc(C)c1OC.
What is the InChIKey of 1-(2-methoxy-3,5-dimethylphenyl)-N-(2-methoxyethyl)propan-2-amine?
The InChIKey is XYDGHIWODVJAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11-8-12(2)15(18-5)14(9-11)10-13(3)16-6-7-17-4/h8-9,13,16H,6-7,10H2,1-5H3.
What are the key properties of 1-(2-methoxy-3,5-dimethylphenyl)-N-(2-methoxyethyl)propan-2-amine?
1-(2-methoxy-3,5-dimethylphenyl)-N-(2-methoxyethyl)propan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,5-dimethylphenyl)-N-(2-methoxyethyl)propan-2-amine is sourced from PubChem (CID 82262565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).