2-methoxy-N-[(5-methyl-2-pentan-2-yloxyphenyl)methyl]ethanamine

C16H27NO2 — CID 107891033

IUPAC2-methoxy-N-[(5-methyl-2-pentan-2-yloxyphenyl)methyl]ethanamine
SMILESCCCC(C)Oc1ccc(C)cc1CNCCOC
InChIInChI=1S/C16H27NO2/c1-5-6-14(3)19-16-8-7-13(2)11-15(16)12-17-9-10-18-4/h7-8,11,14,17H,5-6,9-10,12H2,1-4H3
InChIKeySMHGKUVUMQYODF-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.30
Rot. Bonds9

About 2-methoxy-N-[(5-methyl-2-pentan-2-yloxyphenyl)methyl]ethanamine

2-methoxy-N-[(5-methyl-2-pentan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 107891033) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methoxy-N-[(5-methyl-2-pentan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(5-methyl-2-pentan-2-yloxyphenyl)methyl]ethanamine
PubChem CID107891033
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-methoxy-N-[(5-methyl-2-pentan-2-yloxyphenyl)methyl]ethanamine
SMILESCCCC(C)Oc1ccc(C)cc1CNCCOC
InChIInChI=1S/C16H27NO2/c1-5-6-14(3)19-16-8-7-13(2)11-15(16)12-17-9-10-18-4/h7-8,11,14,17H,5-6,9-10,12H2,1-4H3
InChIKeySMHGKUVUMQYODF-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.30
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

N-[(2-butan-2-yloxy-5-methylphenyl)methyl]-2-methoxyethanamine
CID 63325059
N-[(5-methyl-2-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 114013308
N-[(5-bromo-2-butan-2-yloxyphenyl)methyl]-2-methoxyethanamine
CID 63057016
N-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588261
N-[(3-chloro-2-pentan-2-yloxyphenyl)methyl]-2-methoxyethanamine
CID 107891116
3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 43406573
propan-2-yl 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetate
CID 63324667
N-(2-methoxyethyl)-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-amine
CID 55088268
N-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine
CID 60744416
N-[[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methyl]propan-1-amine
CID 103177793
methyl 4-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]butanoate
CID 63324887
N-[(3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methoxyethanamine
CID 107890952

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(5-methyl-2-pentan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(5-methyl-2-pentan-2-yloxyphenyl)methyl]ethanamine (CID 107891033) is 2-methoxy-N-[(5-methyl-2-pentan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(5-methyl-2-pentan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(5-methyl-2-pentan-2-yloxyphenyl)methyl]ethanamine is CCCC(C)Oc1ccc(C)cc1CNCCOC.
What is the InChIKey of 2-methoxy-N-[(5-methyl-2-pentan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is SMHGKUVUMQYODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-6-14(3)19-16-8-7-13(2)11-15(16)12-17-9-10-18-4/h7-8,11,14,17H,5-6,9-10,12H2,1-4H3.
What are the key properties of 2-methoxy-N-[(5-methyl-2-pentan-2-yloxyphenyl)methyl]ethanamine?
2-methoxy-N-[(5-methyl-2-pentan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(5-methyl-2-pentan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 107891033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).