1-(2-ethoxyphenyl)-4-methoxy-N-propylbutan-1-amine

C16H27NO2 — CID 65091772

IUPAC1-(2-ethoxyphenyl)-4-methoxy-N-propylbutan-1-amine
SMILESCCCNC(CCCOC)c1ccccc1OCC
InChIInChI=1S/C16H27NO2/c1-4-12-17-15(10-8-13-18-3)14-9-6-7-11-16(14)19-5-2/h6-7,9,11,15,17H,4-5,8,10,12-13H2,1-3H3
InChIKeyGQCNLTAKCDXYCW-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.55
Rot. Bonds10

About 1-(2-ethoxyphenyl)-4-methoxy-N-propylbutan-1-amine

1-(2-ethoxyphenyl)-4-methoxy-N-propylbutan-1-amine (PubChem CID 65091772) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-methoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-methoxy-N-propylbutan-1-amine
PubChem CID65091772
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(2-ethoxyphenyl)-4-methoxy-N-propylbutan-1-amine
SMILESCCCNC(CCCOC)c1ccccc1OCC
InChIInChI=1S/C16H27NO2/c1-4-12-17-15(10-8-13-18-3)14-9-6-7-11-16(14)19-5-2/h6-7,9,11,15,17H,4-5,8,10,12-13H2,1-3H3
InChIKeyGQCNLTAKCDXYCW-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
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

1-(2-ethoxyphenyl)-N-propylpentan-1-amine
CID 79411524
1-[2-(2-methoxyethoxy)phenyl]-N-propylpentan-1-amine
CID 104660428
1-[2-(2-methoxyethoxy)phenyl]-N-propylhexan-1-amine
CID 105035328
3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine
CID 104659966
N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
CID 104660193
1-(2-bromo-3-methylphenyl)-4-methoxy-N-propylbutan-1-amine
CID 107985503
4-methoxy-1-(2-propoxyphenyl)-N-propylpentan-1-amine
CID 105180730
1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
CID 82923027
1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine
CID 65176453
1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine
CID 115837596
1-(2-chloro-3-fluorophenyl)-4-methoxy-N-propylbutan-1-amine
CID 105054857
N-[1-(2-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 64633258

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-4-methoxy-N-propylbutan-1-amine?
The IUPAC name of 1-(2-ethoxyphenyl)-4-methoxy-N-propylbutan-1-amine (CID 65091772) is 1-(2-ethoxyphenyl)-4-methoxy-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-methoxy-N-propylbutan-1-amine?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-methoxy-N-propylbutan-1-amine is CCCNC(CCCOC)c1ccccc1OCC.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-methoxy-N-propylbutan-1-amine?
The InChIKey is GQCNLTAKCDXYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-12-17-15(10-8-13-18-3)14-9-6-7-11-16(14)19-5-2/h6-7,9,11,15,17H,4-5,8,10,12-13H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-4-methoxy-N-propylbutan-1-amine?
1-(2-ethoxyphenyl)-4-methoxy-N-propylbutan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.55, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-methoxy-N-propylbutan-1-amine is sourced from PubChem (CID 65091772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).