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

C13H20ClNO2 — CID 60956072

IUPAC1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C13H20ClNO2/c1-5-11(15-6-2)9-7-10(14)13(17-4)12(8-9)16-3/h7-8,11,15H,5-6H2,1-4H3
InChIKeyBONXHTXDWRSLMG-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.42
Rot. Bonds6

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

1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylpropan-1-amine (PubChem CID 60956072) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylpropan-1-amine
PubChem CID60956072
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C13H20ClNO2/c1-5-11(15-6-2)9-7-10(14)13(17-4)12(8-9)16-3/h7-8,11,15H,5-6H2,1-4H3
InChIKeyBONXHTXDWRSLMG-UHFFFAOYSA-N
XLogP3.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine
CID 62601956
1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylhex-4-yn-1-amine
CID 104804947
1-(3-chloro-4,5-dimethoxyphenyl)-3-ethyl-N-methylpentan-1-amine
CID 82923305
1-(3-chloro-4,5-dimethoxyphenyl)-2-ethoxy-N-methylethanamine
CID 79575404
1-(3-chloro-4,5-dimethoxyphenyl)-N-propylhexan-1-amine
CID 63417042
1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropyl-N-methylethanamine
CID 64906585
1-(3-chloro-4,5-dimethoxyphenyl)-N-propylbut-3-en-1-amine
CID 61380659
1-(3-chloro-4,5-dimethoxyphenyl)hexylhydrazine
CID 105204626
1-(3-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 79179774
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
N-ethyl-1-(3,4,5-trimethoxyphenyl)pent-3-yn-1-amine
CID 115819415
[1-(3-chloro-4,5-dimethoxyphenyl)-3-methylidenepentyl]hydrazine
CID 105204631

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylpropan-1-amine?
The IUPAC name of 1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylpropan-1-amine (CID 60956072) is 1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylpropan-1-amine?
The canonical SMILES for 1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylpropan-1-amine is CCNC(CC)c1cc(Cl)c(OC)c(OC)c1.
What is the InChIKey of 1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylpropan-1-amine?
The InChIKey is BONXHTXDWRSLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-5-11(15-6-2)9-7-10(14)13(17-4)12(8-9)16-3/h7-8,11,15H,5-6H2,1-4H3.
What are the key properties of 1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylpropan-1-amine?
1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylpropan-1-amine has a molecular weight of 257.76 g/mol, XLogP of 3.42, 6 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)-N-ethylpropan-1-amine is sourced from PubChem (CID 60956072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).