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1-(2-chloro-6-ethoxyphenyl)ethanamine

C10H14ClNO — CID 130164060

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(2-chloro-6-ethoxyphenyl)ethanamine
SMILESCCOc1cccc(Cl)c1C(C)N
InChIInChI=1S/C10H14ClNO/c1-3-13-9-6-4-5-8(11)10(9)7(2)12/h4-7H,3,12H2,1-2H3
InChIKeyDBLLNGGGESKESQ-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.76
Rot. Bonds3

About 1-(2-chloro-6-ethoxyphenyl)ethanamine

1-(2-chloro-6-ethoxyphenyl)ethanamine (PubChem CID 130164060) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 1-(2-chloro-6-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-6-ethoxyphenyl)ethanamine
PubChem CID130164060
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name1-(2-chloro-6-ethoxyphenyl)ethanamine
SMILESCCOc1cccc(Cl)c1C(C)N
InChIInChI=1S/C10H14ClNO/c1-3-13-9-6-4-5-8(11)10(9)7(2)12/h4-7H,3,12H2,1-2H3
InChIKeyDBLLNGGGESKESQ-UHFFFAOYSA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-ethoxyphenyl)ethanamine?
The IUPAC name of 1-(2-chloro-6-ethoxyphenyl)ethanamine (CID 130164060) is 1-(2-chloro-6-ethoxyphenyl)ethanamine.
What is the SMILES notation for 1-(2-chloro-6-ethoxyphenyl)ethanamine?
The canonical SMILES for 1-(2-chloro-6-ethoxyphenyl)ethanamine is CCOc1cccc(Cl)c1C(C)N.
What is the InChIKey of 1-(2-chloro-6-ethoxyphenyl)ethanamine?
The InChIKey is DBLLNGGGESKESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-3-13-9-6-4-5-8(11)10(9)7(2)12/h4-7H,3,12H2,1-2H3.
What are the key properties of 1-(2-chloro-6-ethoxyphenyl)ethanamine?
1-(2-chloro-6-ethoxyphenyl)ethanamine has a molecular weight of 199.68 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-ethoxyphenyl)ethanamine is sourced from PubChem (CID 130164060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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