2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine

C16H27NO2 — CID 83156925

IUPAC2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
SMILESCOCCNCc1ccccc1OCCCC(C)C
InChIInChI=1S/C16H27NO2/c1-14(2)7-6-11-19-16-9-5-4-8-15(16)13-17-10-12-18-3/h4-5,8-9,14,17H,6-7,10-13H2,1-3H3
InChIKeyDHUUJGKNYUQQDX-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.24
Rot. Bonds10

About 2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine

2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine (PubChem CID 83156925) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
PubChem CID83156925
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
SMILESCOCCNCc1ccccc1OCCCC(C)C
InChIInChI=1S/C16H27NO2/c1-14(2)7-6-11-19-16-9-5-4-8-15(16)13-17-10-12-18-3/h4-5,8-9,14,17H,6-7,10-13H2,1-3H3
InChIKeyDHUUJGKNYUQQDX-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.24
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

2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55148747
N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 113223004
2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
CID 63485820
N-[[2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 61222098
N-[(2-ethoxyphenyl)methyl]-7-methyloctan-1-amine
CID 29300527
methyl 3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 63949511
2-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine
CID 63071959
1-[2-[(2-methoxyethylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 114491989
N-[[2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 103409052
3-[2-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol
CID 82850622
N-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54797439
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 4720382

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine (CID 83156925) is 2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine is COCCNCc1ccccc1OCCCC(C)C.
What is the InChIKey of 2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine?
The InChIKey is DHUUJGKNYUQQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-14(2)7-6-11-19-16-9-5-4-8-15(16)13-17-10-12-18-3/h4-5,8-9,14,17H,6-7,10-13H2,1-3H3.
What are the key properties of 2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine?
2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.24, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 83156925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).