N-[(2-butan-2-yloxy-5-methylphenyl)methyl]-2-methoxyethanamine

C15H25NO2 — CID 63325059

IUPACN-[(2-butan-2-yloxy-5-methylphenyl)methyl]-2-methoxyethanamine
SMILESCCC(C)Oc1ccc(C)cc1CNCCOC
InChIInChI=1S/C15H25NO2/c1-5-13(3)18-15-7-6-12(2)10-14(15)11-16-8-9-17-4/h6-7,10,13,16H,5,8-9,11H2,1-4H3
InChIKeyIANKPCFOKPBIQB-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.91
Rot. Bonds8

About N-[(2-butan-2-yloxy-5-methylphenyl)methyl]-2-methoxyethanamine

N-[(2-butan-2-yloxy-5-methylphenyl)methyl]-2-methoxyethanamine (PubChem CID 63325059) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(2-butan-2-yloxy-5-methylphenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(2-butan-2-yloxy-5-methylphenyl)methyl]-2-methoxyethanamine
PubChem CID63325059
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[(2-butan-2-yloxy-5-methylphenyl)methyl]-2-methoxyethanamine
SMILESCCC(C)Oc1ccc(C)cc1CNCCOC
InChIInChI=1S/C15H25NO2/c1-5-13(3)18-15-7-6-12(2)10-14(15)11-16-8-9-17-4/h6-7,10,13,16H,5,8-9,11H2,1-4H3
InChIKeyIANKPCFOKPBIQB-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 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 ≤ 52.91
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-[(5-methyl-2-pentan-2-yloxyphenyl)methyl]ethanamine
CID 107891033
N-[(5-bromo-2-butan-2-yloxyphenyl)methyl]-2-methoxyethanamine
CID 63057016
N-[(5-methyl-2-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 114013308
N-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588261
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-[[4-butan-2-yloxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 63320254
methyl 4-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]butanoate
CID 63324887
N-[(4-butan-2-yloxyphenyl)methyl]-2-methoxyethanamine
CID 54798556
N-[(2-butan-2-yloxy-3-fluorophenyl)methyl]-2-methoxyethanamine
CID 112610843
2-butan-2-yloxy-1,4-dimethylbenzene
CID 20737129
2-(2-chloro-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62598234

Frequently Asked Questions

What is the IUPAC name of N-[(2-butan-2-yloxy-5-methylphenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(2-butan-2-yloxy-5-methylphenyl)methyl]-2-methoxyethanamine (CID 63325059) is N-[(2-butan-2-yloxy-5-methylphenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(2-butan-2-yloxy-5-methylphenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(2-butan-2-yloxy-5-methylphenyl)methyl]-2-methoxyethanamine is CCC(C)Oc1ccc(C)cc1CNCCOC.
What is the InChIKey of N-[(2-butan-2-yloxy-5-methylphenyl)methyl]-2-methoxyethanamine?
The InChIKey is IANKPCFOKPBIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-13(3)18-15-7-6-12(2)10-14(15)11-16-8-9-17-4/h6-7,10,13,16H,5,8-9,11H2,1-4H3.
What are the key properties of N-[(2-butan-2-yloxy-5-methylphenyl)methyl]-2-methoxyethanamine?
N-[(2-butan-2-yloxy-5-methylphenyl)methyl]-2-methoxyethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butan-2-yloxy-5-methylphenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 63325059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).