1-(4-methoxyphenyl)-2-(4-methylpentoxy)ethanamine

C15H25NO2 — CID 43127754

IUPAC1-(4-methoxyphenyl)-2-(4-methylpentoxy)ethanamine
SMILESCOc1ccc(C(N)COCCCC(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-12(2)5-4-10-18-11-15(16)13-6-8-14(17-3)9-7-13/h6-9,12,15H,4-5,10-11,16H2,1-3H3
InChIKeyIZWBCMBOKSRAPX-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.15
Rot. Bonds8

About 1-(4-methoxyphenyl)-2-(4-methylpentoxy)ethanamine

1-(4-methoxyphenyl)-2-(4-methylpentoxy)ethanamine (PubChem CID 43127754) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(4-methylpentoxy)ethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(4-methylpentoxy)ethanamine
PubChem CID43127754
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(4-methoxyphenyl)-2-(4-methylpentoxy)ethanamine
SMILESCOc1ccc(C(N)COCCCC(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-12(2)5-4-10-18-11-15(16)13-6-8-14(17-3)9-7-13/h6-9,12,15H,4-5,10-11,16H2,1-3H3
InChIKeyIZWBCMBOKSRAPX-UHFFFAOYSA-N
XLogP3.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.15
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

1-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethanamine
CID 54936821
1-(4-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)ethanamine
CID 43184596
4-ethoxy-1-(4-methoxyphenyl)butan-1-amine
CID 105095438
2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43184192
1-(4-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine
CID 55015962
3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)propan-1-amine
CID 103148805
1-(4-tert-butylphenyl)-2-(3-methylbutoxy)ethanamine
CID 43093766
2-butoxy-1-(4-propoxyphenyl)ethanamine
CID 43267600
2-heptoxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43127517
2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethanamine
CID 66323024
2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanamine
CID 55066538
1-(4-methoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 16782629

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(4-methylpentoxy)ethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-2-(4-methylpentoxy)ethanamine (CID 43127754) is 1-(4-methoxyphenyl)-2-(4-methylpentoxy)ethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(4-methylpentoxy)ethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(4-methylpentoxy)ethanamine is COc1ccc(C(N)COCCCC(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(4-methylpentoxy)ethanamine?
The InChIKey is IZWBCMBOKSRAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)5-4-10-18-11-15(16)13-6-8-14(17-3)9-7-13/h6-9,12,15H,4-5,10-11,16H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(4-methylpentoxy)ethanamine?
1-(4-methoxyphenyl)-2-(4-methylpentoxy)ethanamine has a molecular weight of 251.37 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(4-methylpentoxy)ethanamine is sourced from PubChem (CID 43127754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).