2-(4-chlorophenyl)-2-methoxyethanamine

C9H12ClNO — CID 53276240

IUPAC2-(4-chlorophenyl)-2-methoxyethanamine
SMILESCOC(CN)c1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO/c1-12-9(6-11)7-2-4-8(10)5-3-7/h2-5,9H,6,11H2,1H3
InChIKeyUBRQWTFQGAAMGA-UHFFFAOYSA-N
MW185.65 g/mol
LogP1.99
Rot. Bonds3

About 2-(4-chlorophenyl)-2-methoxyethanamine

2-(4-chlorophenyl)-2-methoxyethanamine (PubChem CID 53276240) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-methoxyethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-methoxyethanamine
PubChem CID53276240
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name2-(4-chlorophenyl)-2-methoxyethanamine
SMILESCOC(CN)c1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO/c1-12-9(6-11)7-2-4-8(10)5-3-7/h2-5,9H,6,11H2,1H3
InChIKeyUBRQWTFQGAAMGA-UHFFFAOYSA-N
XLogP1.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-methoxyethanamine?
The IUPAC name of 2-(4-chlorophenyl)-2-methoxyethanamine (CID 53276240) is 2-(4-chlorophenyl)-2-methoxyethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-2-methoxyethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-2-methoxyethanamine is COC(CN)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-methoxyethanamine?
The InChIKey is UBRQWTFQGAAMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-12-9(6-11)7-2-4-8(10)5-3-7/h2-5,9H,6,11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-2-methoxyethanamine?
2-(4-chlorophenyl)-2-methoxyethanamine has a molecular weight of 185.65 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-methoxyethanamine is sourced from PubChem (CID 53276240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).