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

C15H24ClNO2 — CID 105140924

IUPAC1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine
SMILESCCNC(CCCOCC)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H24ClNO2/c1-4-17-14(7-6-10-19-5-2)13-11-12(16)8-9-15(13)18-3/h8-9,11,14,17H,4-7,10H2,1-3H3
InChIKeyKGVBGGZNONRYLZ-UHFFFAOYSA-N
MW285.81 g/mol
LogP3.82
Rot. Bonds9

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

1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine (PubChem CID 105140924) 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-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine
PubChem CID105140924
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine
SMILESCCNC(CCCOCC)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H24ClNO2/c1-4-17-14(7-6-10-19-5-2)13-11-12(16)8-9-15(13)18-3/h8-9,11,14,17H,4-7,10H2,1-3H3
InChIKeyKGVBGGZNONRYLZ-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
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-ethoxy-N-methylbutan-1-amine
CID 105140939
1-(5-chloro-2-methoxyphenyl)-N-ethylpent-4-en-1-amine
CID 104987543
1-(5-chloro-2-methoxyphenyl)-N,3-diethylpentan-1-amine
CID 105028250
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 114886474
1-(3,4-dimethoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 105141191
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylhexan-1-amine
CID 115845507
1-(5-chloro-2-methoxyphenyl)-N-ethylbut-3-yn-1-amine
CID 114977581
1-(5-chloro-2-methoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62789352
4-ethoxy-1-(5-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine
CID 105176513
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 78924376
1-(5-chloro-2-methoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949267
1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-N-propylpropan-1-amine
CID 104995108

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine (CID 105140924) is 1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine is CCNC(CCCOCC)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine?
The InChIKey is KGVBGGZNONRYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-4-17-14(7-6-10-19-5-2)13-11-12(16)8-9-15(13)18-3/h8-9,11,14,17H,4-7,10H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine?
1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine has a molecular weight of 285.81 g/mol, XLogP of 3.82, 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-1-amine is sourced from PubChem (CID 105140924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).