1-(4-ethoxyphenyl)-N-methyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine

C17H29NO3 — CID 106447281

IUPAC1-(4-ethoxyphenyl)-N-methyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
SMILESCCOc1ccc(C(COCCOCC(C)C)NC)cc1
InChIInChI=1S/C17H29NO3/c1-5-21-16-8-6-15(7-9-16)17(18-4)13-20-11-10-19-12-14(2)3/h6-9,14,17-18H,5,10-13H2,1-4H3
InChIKeyNRLRAJDXHXJHAK-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.04
Rot. Bonds11

About 1-(4-ethoxyphenyl)-N-methyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine

1-(4-ethoxyphenyl)-N-methyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine (PubChem CID 106447281) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-methyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-methyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
PubChem CID106447281
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-(4-ethoxyphenyl)-N-methyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
SMILESCCOc1ccc(C(COCCOCC(C)C)NC)cc1
InChIInChI=1S/C17H29NO3/c1-5-21-16-8-6-15(7-9-16)17(18-4)13-20-11-10-19-12-14(2)3/h6-9,14,17-18H,5,10-13H2,1-4H3
InChIKeyNRLRAJDXHXJHAK-UHFFFAOYSA-N
XLogP3.04
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028805
N-methyl-1-(4-propan-2-yloxyphenyl)-2-(2-propoxyethoxy)ethanamine
CID 63685624
1-(4-ethoxyphenyl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine
CID 102928029
3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol
CID 107772633
1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859
N-methyl-1-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447365
N-methyl-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106449842
1-(4-ethoxyphenyl)-N-methylheptan-1-amine
CID 114752328
N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 62795609
1-(4-ethoxyphenyl)-N-methylpent-4-en-1-amine
CID 104987516
1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81035249
3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66103243

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-methyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-methyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine (CID 106447281) is 1-(4-ethoxyphenyl)-N-methyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-methyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-methyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine is CCOc1ccc(C(COCCOCC(C)C)NC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-methyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
The InChIKey is NRLRAJDXHXJHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-5-21-16-8-6-15(7-9-16)17(18-4)13-20-11-10-19-12-14(2)3/h6-9,14,17-18H,5,10-13H2,1-4H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-methyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
1-(4-ethoxyphenyl)-N-methyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine has a molecular weight of 295.42 g/mol, XLogP of 3.04, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-methyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine is sourced from PubChem (CID 106447281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).