1-[2-(2-butoxyethoxy)-4-methylphenyl]-N-ethylethanamine

C17H29NO2 — CID 63640993

IUPAC1-[2-(2-butoxyethoxy)-4-methylphenyl]-N-ethylethanamine
SMILESCCCCOCCOc1cc(C)ccc1C(C)NCC
InChIInChI=1S/C17H29NO2/c1-5-7-10-19-11-12-20-17-13-14(3)8-9-16(17)15(4)18-6-2/h8-9,13,15,18H,5-7,10-12H2,1-4H3
InChIKeyAAOKNGIMQAMFHD-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.86
Rot. Bonds10

About 1-[2-(2-butoxyethoxy)-4-methylphenyl]-N-ethylethanamine

1-[2-(2-butoxyethoxy)-4-methylphenyl]-N-ethylethanamine (PubChem CID 63640993) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-[2-(2-butoxyethoxy)-4-methylphenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(2-butoxyethoxy)-4-methylphenyl]-N-ethylethanamine
PubChem CID63640993
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-[2-(2-butoxyethoxy)-4-methylphenyl]-N-ethylethanamine
SMILESCCCCOCCOc1cc(C)ccc1C(C)NCC
InChIInChI=1S/C17H29NO2/c1-5-7-10-19-11-12-20-17-13-14(3)8-9-16(17)15(4)18-6-2/h8-9,13,15,18H,5-7,10-12H2,1-4H3
InChIKeyAAOKNGIMQAMFHD-UHFFFAOYSA-N
XLogP3.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.86
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-ethyl-1-[2-[2-(3-methoxypropoxy)ethoxy]-4-methylphenyl]ethanamine
CID 103177842
1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine
CID 63640644
1-[2-(3-ethoxypropoxy)-4-methylphenyl]-N-ethylethanamine
CID 65176576
N-ethyl-1-[4-methyl-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanamine
CID 63640489
1-(2-butoxy-5-methylphenyl)-N-ethylethanamine
CID 43505150
N-[1-[2-(2-butoxyethoxy)-5-methylphenyl]ethyl]propan-1-amine
CID 61483064
N-ethyl-1-[4-methyl-2-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 115513259
1-(4-bromo-2-butoxyphenyl)-N-ethylethanamine
CID 82976092
N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine
CID 43505152
1-[4-(2-butoxyethoxy)-2-fluorophenyl]-N-ethylethanamine
CID 107717524
N-ethyl-1-(4-methyl-2-prop-2-enoxyphenyl)ethanamine
CID 63640648
N-[1-[2-(2-methoxyethoxy)-4-methylphenyl]ethyl]propan-1-amine
CID 55246297

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butoxyethoxy)-4-methylphenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-(2-butoxyethoxy)-4-methylphenyl]-N-ethylethanamine (CID 63640993) is 1-[2-(2-butoxyethoxy)-4-methylphenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(2-butoxyethoxy)-4-methylphenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(2-butoxyethoxy)-4-methylphenyl]-N-ethylethanamine is CCCCOCCOc1cc(C)ccc1C(C)NCC.
What is the InChIKey of 1-[2-(2-butoxyethoxy)-4-methylphenyl]-N-ethylethanamine?
The InChIKey is AAOKNGIMQAMFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-7-10-19-11-12-20-17-13-14(3)8-9-16(17)15(4)18-6-2/h8-9,13,15,18H,5-7,10-12H2,1-4H3.
What are the key properties of 1-[2-(2-butoxyethoxy)-4-methylphenyl]-N-ethylethanamine?
1-[2-(2-butoxyethoxy)-4-methylphenyl]-N-ethylethanamine has a molecular weight of 279.42 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-butoxyethoxy)-4-methylphenyl]-N-ethylethanamine is sourced from PubChem (CID 63640993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).