2-[(2-chlorophenyl)methoxy]ethanamine;hydrochloride

C9H13Cl2NO — CID 2918904

IUPAC2-[(2-chlorophenyl)methoxy]ethanamine;hydrochloride
SMILESCl.NCCOCc1ccccc1Cl
InChIInChI=1S/C9H12ClNO.ClH/c10-9-4-2-1-3-8(9)7-12-6-5-11;/h1-4H,5-7,11H2;1H
InChIKeyFRIRXRYZWDEJDY-UHFFFAOYSA-N
MW222.12 g/mol
LogP2.24
Rot. Bonds4

About 2-[(2-chlorophenyl)methoxy]ethanamine;hydrochloride

2-[(2-chlorophenyl)methoxy]ethanamine;hydrochloride (PubChem CID 2918904) has the molecular formula C9H13Cl2NO and a molecular weight of 222.12 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]ethanamine;hydrochloride
PubChem CID2918904
Molecular FormulaC9H13Cl2NO
Molecular Weight222.12 g/mol
Exact Mass221.04
IUPAC Name2-[(2-chlorophenyl)methoxy]ethanamine;hydrochloride
SMILESCl.NCCOCc1ccccc1Cl
InChIInChI=1S/C9H12ClNO.ClH/c10-9-4-2-1-3-8(9)7-12-6-5-11;/h1-4H,5-7,11H2;1H
InChIKeyFRIRXRYZWDEJDY-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 52.24
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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Related Compounds

CID 11506733
CID 11506733
CID 533868
CID 533868
CID 54754345
CID 54754345
CID 5151145
CID 5151145
CID 56666906
CID 56666906
CID 33424552
CID 33424552
CID 29102
CID 29102
CID 36623
CID 36623
CID 17385239
CID 17385239
CID 2794786
CID 2794786
CID 3739938
CID 3739938
CID 53276240
CID 53276240

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]ethanamine;hydrochloride?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]ethanamine;hydrochloride (CID 2918904) is 2-[(2-chlorophenyl)methoxy]ethanamine;hydrochloride.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]ethanamine;hydrochloride?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]ethanamine;hydrochloride is Cl.NCCOCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]ethanamine;hydrochloride?
The InChIKey is FRIRXRYZWDEJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO.ClH/c10-9-4-2-1-3-8(9)7-12-6-5-11;/h1-4H,5-7,11H2;1H.
What are the key properties of 2-[(2-chlorophenyl)methoxy]ethanamine;hydrochloride?
2-[(2-chlorophenyl)methoxy]ethanamine;hydrochloride has a molecular weight of 222.12 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]ethanamine;hydrochloride is sourced from PubChem (CID 2918904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).