1-(5-chloro-2-methoxyphenyl)-4-methoxy-N-methylpentan-1-amine

C14H22ClNO2 — CID 105140965

IUPAC1-(5-chloro-2-methoxyphenyl)-4-methoxy-N-methylpentan-1-amine
SMILESCNC(CCC(C)OC)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H22ClNO2/c1-10(17-3)5-7-13(16-2)12-9-11(15)6-8-14(12)18-4/h6,8-10,13,16H,5,7H2,1-4H3
InChIKeyKBAMJLWPSDXFFC-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.42
Rot. Bonds7

About 1-(5-chloro-2-methoxyphenyl)-4-methoxy-N-methylpentan-1-amine

1-(5-chloro-2-methoxyphenyl)-4-methoxy-N-methylpentan-1-amine (PubChem CID 105140965) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-4-methoxy-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-4-methoxy-N-methylpentan-1-amine
PubChem CID105140965
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-(5-chloro-2-methoxyphenyl)-4-methoxy-N-methylpentan-1-amine
SMILESCNC(CCC(C)OC)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H22ClNO2/c1-10(17-3)5-7-13(16-2)12-9-11(15)6-8-14(12)18-4/h6,8-10,13,16H,5,7H2,1-4H3
InChIKeyKBAMJLWPSDXFFC-UHFFFAOYSA-N
XLogP3.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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)-N-methylbutane-1,4-diamine
CID 116949267
2-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanethiol
CID 116830604
1-(5-chloro-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine
CID 116948837
1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-methylbutan-1-amine
CID 105140939
2-butan-2-ylsulfanyl-1-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 65136022
1-(5-chloro-2-methoxyphenyl)-N-methyloct-7-en-1-amine
CID 107011816
[1-(5-chloro-2-methoxyphenyl)-4-methylpentyl]hydrazine
CID 105207718
1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954303
1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 61079470
1-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
CID 116949834

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-methoxy-N-methylpentan-1-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-methoxy-N-methylpentan-1-amine (CID 105140965) is 1-(5-chloro-2-methoxyphenyl)-4-methoxy-N-methylpentan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-4-methoxy-N-methylpentan-1-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-4-methoxy-N-methylpentan-1-amine is CNC(CCC(C)OC)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-4-methoxy-N-methylpentan-1-amine?
The InChIKey is KBAMJLWPSDXFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-10(17-3)5-7-13(16-2)12-9-11(15)6-8-14(12)18-4/h6,8-10,13,16H,5,7H2,1-4H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-4-methoxy-N-methylpentan-1-amine?
1-(5-chloro-2-methoxyphenyl)-4-methoxy-N-methylpentan-1-amine has a molecular weight of 271.79 g/mol, XLogP of 3.42, 7 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-methoxy-N-methylpentan-1-amine is sourced from PubChem (CID 105140965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).