N-[[4-(2-ethylbutoxy)phenyl]methyl]-2-methoxyethanamine

C16H27NO2 — CID 82927436

IUPACN-[[4-(2-ethylbutoxy)phenyl]methyl]-2-methoxyethanamine
SMILESCCC(CC)COc1ccc(CNCCOC)cc1
InChIInChI=1S/C16H27NO2/c1-4-14(5-2)13-19-16-8-6-15(7-9-16)12-17-10-11-18-3/h6-9,14,17H,4-5,10-13H2,1-3H3
InChIKeyGKOXQBVXQWAAMR-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.24
Rot. Bonds10

About N-[[4-(2-ethylbutoxy)phenyl]methyl]-2-methoxyethanamine

N-[[4-(2-ethylbutoxy)phenyl]methyl]-2-methoxyethanamine (PubChem CID 82927436) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[4-(2-ethylbutoxy)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[4-(2-ethylbutoxy)phenyl]methyl]-2-methoxyethanamine
PubChem CID82927436
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[[4-(2-ethylbutoxy)phenyl]methyl]-2-methoxyethanamine
SMILESCCC(CC)COc1ccc(CNCCOC)cc1
InChIInChI=1S/C16H27NO2/c1-4-14(5-2)13-19-16-8-6-15(7-9-16)12-17-10-11-18-3/h6-9,14,17H,4-5,10-13H2,1-3H3
InChIKeyGKOXQBVXQWAAMR-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

N-[[4-(2-ethylbutoxy)-3-methoxyphenyl]methyl]-2-methoxyethanamine
CID 82927600
2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55146437
N-[(4-butan-2-yloxyphenyl)methyl]-2-methoxyethanamine
CID 54798556
2-methoxy-N-[[4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine
CID 63063741
1-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol
CID 114491978
N-[[4-(difluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 115523365
N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54810062
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methoxyethanamine
CID 55146817
4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol
CID 79360226
1-(chloromethyl)-4-(2-ethylbutoxy)benzene
CID 82928128
2-methoxy-N-[[4-(3-methylsulfonylpropoxy)phenyl]methyl]ethanamine
CID 63190551

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethylbutoxy)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[4-(2-ethylbutoxy)phenyl]methyl]-2-methoxyethanamine (CID 82927436) is N-[[4-(2-ethylbutoxy)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[4-(2-ethylbutoxy)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[4-(2-ethylbutoxy)phenyl]methyl]-2-methoxyethanamine is CCC(CC)COc1ccc(CNCCOC)cc1.
What is the InChIKey of N-[[4-(2-ethylbutoxy)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is GKOXQBVXQWAAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-14(5-2)13-19-16-8-6-15(7-9-16)12-17-10-11-18-3/h6-9,14,17H,4-5,10-13H2,1-3H3.
What are the key properties of N-[[4-(2-ethylbutoxy)phenyl]methyl]-2-methoxyethanamine?
N-[[4-(2-ethylbutoxy)phenyl]methyl]-2-methoxyethanamine 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 N-[[4-(2-ethylbutoxy)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 82927436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).