2-[(4-chlorophenyl)methoxy]ethanamine

C9H12ClNO — CID 5151145

IUPAC2-[(4-chlorophenyl)methoxy]ethanamine
SMILESNCCOCc1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO/c10-9-3-1-8(2-4-9)7-12-6-5-11/h1-4H,5-7,11H2
InChIKeyPAYJTSGVVHLHRQ-UHFFFAOYSA-N
MW185.65 g/mol
LogP1.82
Rot. Bonds4

About 2-[(4-chlorophenyl)methoxy]ethanamine

2-[(4-chlorophenyl)methoxy]ethanamine (PubChem CID 5151145) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]ethanamine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]ethanamine
PubChem CID5151145
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name2-[(4-chlorophenyl)methoxy]ethanamine
SMILESNCCOCc1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO/c10-9-3-1-8(2-4-9)7-12-6-5-11/h1-4H,5-7,11H2
InChIKeyPAYJTSGVVHLHRQ-UHFFFAOYSA-N
XLogP1.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]ethanamine?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]ethanamine (CID 5151145) is 2-[(4-chlorophenyl)methoxy]ethanamine.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]ethanamine?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]ethanamine is NCCOCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]ethanamine?
The InChIKey is PAYJTSGVVHLHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c10-9-3-1-8(2-4-9)7-12-6-5-11/h1-4H,5-7,11H2.
What are the key properties of 2-[(4-chlorophenyl)methoxy]ethanamine?
2-[(4-chlorophenyl)methoxy]ethanamine has a molecular weight of 185.65 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]ethanamine is sourced from PubChem (CID 5151145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).