1-(3-chloro-4,5-dimethoxyphenyl)-3-ethyl-N-methylpentan-1-amine

C16H26ClNO2 — CID 82923305

IUPAC1-(3-chloro-4,5-dimethoxyphenyl)-3-ethyl-N-methylpentan-1-amine
SMILESCCC(CC)CC(NC)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C16H26ClNO2/c1-6-11(7-2)8-14(18-3)12-9-13(17)16(20-5)15(10-12)19-4/h9-11,14,18H,6-8H2,1-5H3
InChIKeyISLNPFATZNXYLR-UHFFFAOYSA-N
MW299.84 g/mol
LogP4.44
Rot. Bonds8

About 1-(3-chloro-4,5-dimethoxyphenyl)-3-ethyl-N-methylpentan-1-amine

1-(3-chloro-4,5-dimethoxyphenyl)-3-ethyl-N-methylpentan-1-amine (PubChem CID 82923305) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 1-(3-chloro-4,5-dimethoxyphenyl)-3-ethyl-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4,5-dimethoxyphenyl)-3-ethyl-N-methylpentan-1-amine
PubChem CID82923305
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name1-(3-chloro-4,5-dimethoxyphenyl)-3-ethyl-N-methylpentan-1-amine
SMILESCCC(CC)CC(NC)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C16H26ClNO2/c1-6-11(7-2)8-14(18-3)12-9-13(17)16(20-5)15(10-12)19-4/h9-11,14,18H,6-8H2,1-5H3
InChIKeyISLNPFATZNXYLR-UHFFFAOYSA-N
XLogP4.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine
CID 105028365
1-(3-chloro-4,5-dimethoxyphenyl)-2-ethoxy-N-methylethanamine
CID 79575404
1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropyl-N-methylethanamine
CID 64906585
1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 60956072
[3-ethyl-1-(3,4,5-trimethoxyphenyl)pentyl]hydrazine
CID 105330965
1-(3-chloro-4,5-dimethoxyphenyl)hexylhydrazine
CID 105204626
1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine
CID 62601956
1-(3-chloro-4,5-dimethoxyphenyl)-N-propylhexan-1-amine
CID 63417042
1-(3,5-difluorophenyl)-3-ethyl-N-methylpentan-1-amine
CID 82922686
[1-(3-chloro-4,5-dimethoxyphenyl)-3-methylidenepentyl]hydrazine
CID 105204631
1-(3-chloro-4,5-dimethoxyphenyl)-N-propylbut-3-en-1-amine
CID 61380659
1-(3-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 79179774

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4,5-dimethoxyphenyl)-3-ethyl-N-methylpentan-1-amine?
The IUPAC name of 1-(3-chloro-4,5-dimethoxyphenyl)-3-ethyl-N-methylpentan-1-amine (CID 82923305) is 1-(3-chloro-4,5-dimethoxyphenyl)-3-ethyl-N-methylpentan-1-amine.
What is the SMILES notation for 1-(3-chloro-4,5-dimethoxyphenyl)-3-ethyl-N-methylpentan-1-amine?
The canonical SMILES for 1-(3-chloro-4,5-dimethoxyphenyl)-3-ethyl-N-methylpentan-1-amine is CCC(CC)CC(NC)c1cc(Cl)c(OC)c(OC)c1.
What is the InChIKey of 1-(3-chloro-4,5-dimethoxyphenyl)-3-ethyl-N-methylpentan-1-amine?
The InChIKey is ISLNPFATZNXYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2/c1-6-11(7-2)8-14(18-3)12-9-13(17)16(20-5)15(10-12)19-4/h9-11,14,18H,6-8H2,1-5H3.
What are the key properties of 1-(3-chloro-4,5-dimethoxyphenyl)-3-ethyl-N-methylpentan-1-amine?
1-(3-chloro-4,5-dimethoxyphenyl)-3-ethyl-N-methylpentan-1-amine has a molecular weight of 299.84 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4,5-dimethoxyphenyl)-3-ethyl-N-methylpentan-1-amine is sourced from PubChem (CID 82923305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).