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

C14H22ClNO2 — CID 105140939

IUPAC1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-methylbutan-1-amine
SMILESCCOCCCC(NC)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H22ClNO2/c1-4-18-9-5-6-13(16-2)12-10-11(15)7-8-14(12)17-3/h7-8,10,13,16H,4-6,9H2,1-3H3
InChIKeyHYOFQYMSFKQRGV-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.43
Rot. Bonds8

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

1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-methylbutan-1-amine (PubChem CID 105140939) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-methylbutan-1-amine
PubChem CID105140939
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-methylbutan-1-amine
SMILESCCOCCCC(NC)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H22ClNO2/c1-4-18-9-5-6-13(16-2)12-10-11(15)7-8-14(12)17-3/h7-8,10,13,16H,4-6,9H2,1-3H3
InChIKeyHYOFQYMSFKQRGV-UHFFFAOYSA-N
XLogP3.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.43
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-ethylbutan-1-amine
CID 105140924
4-ethoxy-1-(5-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine
CID 105176513
1-(5-chloro-2-methoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949267
1-(5-chloro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
CID 116949835
1-(5-chloro-2-methoxyphenyl)-N-methylpropane-1,3-diamine
CID 116948362
1-(5-chloro-2-methoxyphenyl)-4-methoxy-N-methylpentan-1-amine
CID 105140965
1-(5-chloro-2-methoxyphenyl)-N-methyloct-7-en-1-amine
CID 107011816
4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-1-amine
CID 105174760
2-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanethiol
CID 116830604
1-(2,6-dimethoxyphenyl)-4-ethoxy-N-methylbutan-1-amine
CID 105188714
1-(5-chloro-2-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103163357
1-(5-chloro-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine
CID 116948837

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-methylbutan-1-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-methylbutan-1-amine (CID 105140939) is 1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-methylbutan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-methylbutan-1-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-methylbutan-1-amine is CCOCCCC(NC)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-methylbutan-1-amine?
The InChIKey is HYOFQYMSFKQRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-4-18-9-5-6-13(16-2)12-10-11(15)7-8-14(12)17-3/h7-8,10,13,16H,4-6,9H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-methylbutan-1-amine?
1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-methylbutan-1-amine has a molecular weight of 271.79 g/mol, XLogP of 3.43, 8 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-methylbutan-1-amine is sourced from PubChem (CID 105140939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).