2-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)propan-1-amine

C13H20ClNO2 — CID 117398117

IUPAC2-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)propan-1-amine
SMILESCCc1cc(OC)c(OC)c(C(C)CN)c1Cl
InChIInChI=1S/C13H20ClNO2/c1-5-9-6-10(16-3)13(17-4)11(12(9)14)8(2)7-15/h6,8H,5,7,15H2,1-4H3
InChIKeyPDBXZYUXZWPCNH-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.98
Rot. Bonds5

About 2-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)propan-1-amine

2-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)propan-1-amine (PubChem CID 117398117) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)propan-1-amine
PubChem CID117398117
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name2-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)propan-1-amine
SMILESCCc1cc(OC)c(OC)c(C(C)CN)c1Cl
InChIInChI=1S/C13H20ClNO2/c1-5-9-6-10(16-3)13(17-4)11(12(9)14)8(2)7-15/h6,8H,5,7,15H2,1-4H3
InChIKeyPDBXZYUXZWPCNH-UHFFFAOYSA-N
XLogP2.98
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-3,4,6-trimethoxyphenyl)propan-1-amine
CID 117403628
2-(1-aminopropan-2-yl)-3-chloro-4,5-dimethoxyphenol
CID 117366706
2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine
CID 117471666
2-(1-aminopropan-2-yl)-6-bromo-3,4-dimethoxyphenol
CID 117468539
2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-amine
CID 117465253
3-(2-amino-1-hydroxyethyl)-2-chloro-4,5-dimethoxyphenol
CID 117372422
1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)propan-2-amine
CID 117432479
2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-amine
CID 83887883
1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)-2-methylpropan-2-amine
CID 117460468
2-(3,4-dimethoxy-5-methylphenyl)propan-1-amine
CID 117299386
2-(2,6-difluoro-3,5-dimethoxyphenyl)propan-1-amine
CID 117333864
1,2-diethyl-3,4,5-trimethoxybenzene
CID 123966014

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)propan-1-amine?
The IUPAC name of 2-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)propan-1-amine (CID 117398117) is 2-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)propan-1-amine is CCc1cc(OC)c(OC)c(C(C)CN)c1Cl.
What is the InChIKey of 2-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)propan-1-amine?
The InChIKey is PDBXZYUXZWPCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-5-9-6-10(16-3)13(17-4)11(12(9)14)8(2)7-15/h6,8H,5,7,15H2,1-4H3.
What are the key properties of 2-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)propan-1-amine?
2-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)propan-1-amine has a molecular weight of 257.76 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 117398117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).