4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)butan-1-amine

C15H25NO2 — CID 79437143

IUPAC4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)butan-1-amine
SMILESCOCCNCC(CCOC)c1ccc(C)cc1
InChIInChI=1S/C15H25NO2/c1-13-4-6-14(7-5-13)15(8-10-17-2)12-16-9-11-18-3/h4-7,15-16H,8-12H2,1-3H3
InChIKeyUCTBGKWHQDXPDC-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.35
Rot. Bonds9

About 4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)butan-1-amine

4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)butan-1-amine (PubChem CID 79437143) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)butan-1-amine
PubChem CID79437143
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)butan-1-amine
SMILESCOCCNCC(CCOC)c1ccc(C)cc1
InChIInChI=1S/C15H25NO2/c1-13-4-6-14(7-5-13)15(8-10-17-2)12-16-9-11-18-3/h4-7,15-16H,8-12H2,1-3H3
InChIKeyUCTBGKWHQDXPDC-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.35
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-methoxyethoxy)-2-(4-methylphenyl)-N-propylbutan-1-amine
CID 79436715
3-(5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-2-(4-methylphenyl)propan-1-amine
CID 79430687
N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 65431371
2-(4-bromophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457082
N-(2-methoxyethyl)-2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 79430683
2-(4-chlorophenyl)-N-(2-methoxyethyl)-6-methylheptan-1-amine
CID 83169176
2-(4-chlorophenyl)-N-(2-methoxyethyl)-4-methylsulfanylbutan-1-amine
CID 113474262
3-methoxy-N-methyl-2-(4-methylphenyl)propan-1-amine
CID 103984749
2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 79441568
5-methoxy-2-(4-methylphenyl)-N-propan-2-ylpentan-1-amine
CID 79436710
2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-trimethylsilylpropan-1-amine
CID 106323752
2-(4-fluorophenyl)-N-(2-methoxyethyl)-4-thiophen-2-ylbutan-1-amine
CID 79433328

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)butan-1-amine?
The IUPAC name of 4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)butan-1-amine (CID 79437143) is 4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)butan-1-amine.
What is the SMILES notation for 4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)butan-1-amine?
The canonical SMILES for 4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)butan-1-amine is COCCNCC(CCOC)c1ccc(C)cc1.
What is the InChIKey of 4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)butan-1-amine?
The InChIKey is UCTBGKWHQDXPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-13-4-6-14(7-5-13)15(8-10-17-2)12-16-9-11-18-3/h4-7,15-16H,8-12H2,1-3H3.
What are the key properties of 4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)butan-1-amine?
4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)butan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)butan-1-amine is sourced from PubChem (CID 79437143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).