1-ethoxy-N-ethyl-5-(4-methoxyphenyl)pentan-3-amine

C16H27NO2 — CID 105152339

IUPAC1-ethoxy-N-ethyl-5-(4-methoxyphenyl)pentan-3-amine
SMILESCCNC(CCOCC)CCc1ccc(OC)cc1
InChIInChI=1S/C16H27NO2/c1-4-17-15(12-13-19-5-2)9-6-14-7-10-16(18-3)11-8-14/h7-8,10-11,15,17H,4-6,9,12-13H2,1-3H3
InChIKeyZSWRODXTMLIZEC-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.03
Rot. Bonds10

About 1-ethoxy-N-ethyl-5-(4-methoxyphenyl)pentan-3-amine

1-ethoxy-N-ethyl-5-(4-methoxyphenyl)pentan-3-amine (PubChem CID 105152339) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-ethoxy-N-ethyl-5-(4-methoxyphenyl)pentan-3-amine.

Molecular Properties

Compound Name1-ethoxy-N-ethyl-5-(4-methoxyphenyl)pentan-3-amine
PubChem CID105152339
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-ethoxy-N-ethyl-5-(4-methoxyphenyl)pentan-3-amine
SMILESCCNC(CCOCC)CCc1ccc(OC)cc1
InChIInChI=1S/C16H27NO2/c1-4-17-15(12-13-19-5-2)9-6-14-7-10-16(18-3)11-8-14/h7-8,10-11,15,17H,4-6,9,12-13H2,1-3H3
InChIKeyZSWRODXTMLIZEC-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
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-4-(4-methoxyphenyl)-1-propoxybutan-2-amine
CID 65445145
N-ethyl-4-(4-methoxyphenyl)-1-propan-2-ylsulfanylbutan-2-amine
CID 65445532
N-ethyl-5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine
CID 105005455
1-(4-ethoxybutyl)-4-methoxybenzene
CID 54183977
1-(4-methoxyphenyl)pentan-3-ylhydrazine
CID 105200937
N-(2-ethoxyethyl)-2-(4-methoxyphenyl)ethanamine
CID 43387940
1-ethoxy-N-ethyl-7-phenylheptan-4-amine
CID 105139776
N-ethyl-4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-amine
CID 107065191
4-ethoxy-1-(4-methoxyphenyl)butan-2-ol
CID 62606919
6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine
CID 79959286
N-ethyl-1-(4-methoxyphenyl)-5-methylhexan-2-amine
CID 61066425
N-ethyl-3-(4-methoxyphenyl)-1-(4-methylcyclohexyl)propan-1-amine
CID 65445898

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-ethyl-5-(4-methoxyphenyl)pentan-3-amine?
The IUPAC name of 1-ethoxy-N-ethyl-5-(4-methoxyphenyl)pentan-3-amine (CID 105152339) is 1-ethoxy-N-ethyl-5-(4-methoxyphenyl)pentan-3-amine.
What is the SMILES notation for 1-ethoxy-N-ethyl-5-(4-methoxyphenyl)pentan-3-amine?
The canonical SMILES for 1-ethoxy-N-ethyl-5-(4-methoxyphenyl)pentan-3-amine is CCNC(CCOCC)CCc1ccc(OC)cc1.
What is the InChIKey of 1-ethoxy-N-ethyl-5-(4-methoxyphenyl)pentan-3-amine?
The InChIKey is ZSWRODXTMLIZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-17-15(12-13-19-5-2)9-6-14-7-10-16(18-3)11-8-14/h7-8,10-11,15,17H,4-6,9,12-13H2,1-3H3.
What are the key properties of 1-ethoxy-N-ethyl-5-(4-methoxyphenyl)pentan-3-amine?
1-ethoxy-N-ethyl-5-(4-methoxyphenyl)pentan-3-amine has a molecular weight of 265.40 g/mol, XLogP of 3.03, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-ethyl-5-(4-methoxyphenyl)pentan-3-amine is sourced from PubChem (CID 105152339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).