1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-2-amine

C15H24ClNO2 — CID 105137424

IUPAC1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-2-amine
SMILESCCNC(CCOCC)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C15H24ClNO2/c1-4-17-14(8-9-19-5-2)11-12-10-13(16)6-7-15(12)18-3/h6-7,10,14,17H,4-5,8-9,11H2,1-3H3
InChIKeyZYDYTXJIWPBZCW-UHFFFAOYSA-N
MW285.81 g/mol
LogP3.30
Rot. Bonds9

About 1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-2-amine

1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-2-amine (PubChem CID 105137424) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-2-amine
PubChem CID105137424
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-2-amine
SMILESCCNC(CCOCC)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C15H24ClNO2/c1-4-17-14(8-9-19-5-2)11-12-10-13(16)6-7-15(12)18-3/h6-7,10,14,17H,4-5,8-9,11H2,1-3H3
InChIKeyZYDYTXJIWPBZCW-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 53.30
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-(5-chloro-2-methoxyphenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
CID 103149649
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine
CID 62604361
1-(2,4-dichlorophenyl)-5-ethoxy-N-ethylpentan-2-amine
CID 105132456
2-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 63414164
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 62601354
1-(2,5-dichlorophenyl)-4-ethoxy-N-methylbutan-2-amine
CID 105151407
1-(2,4-dichlorophenyl)-4-ethoxy-N-propylbutan-2-amine
CID 115601707
1-(5-chloro-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116717974
3-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 62916009
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine
CID 63415780
1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 105140924
1-(5-chloro-2-methoxyphenyl)-N-methylnonan-2-amine
CID 115845070

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-2-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-2-amine (CID 105137424) is 1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-2-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-2-amine is CCNC(CCOCC)Cc1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-2-amine?
The InChIKey is ZYDYTXJIWPBZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-4-17-14(8-9-19-5-2)11-12-10-13(16)6-7-15(12)18-3/h6-7,10,14,17H,4-5,8-9,11H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-2-amine?
1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-2-amine has a molecular weight of 285.81 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-2-amine is sourced from PubChem (CID 105137424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).