2-[4-[(3-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride

C15H17Cl2NO — CID 22421276

IUPAC2-[4-[(3-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride
SMILESCl.NCCc1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H16ClNO.ClH/c16-14-3-1-2-13(10-14)11-18-15-6-4-12(5-7-15)8-9-17;/h1-7,10H,8-9,11,17H2;1H
InChIKeyLXTCELYVYXUYEL-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.84
Rot. Bonds5

About 2-[4-[(3-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride

2-[4-[(3-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride (PubChem CID 22421276) has the molecular formula C15H17Cl2NO and a molecular weight of 298.21 g/mol. Its IUPAC name is 2-[4-[(3-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-[(3-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride
PubChem CID22421276
Molecular FormulaC15H17Cl2NO
Molecular Weight298.21 g/mol
Exact Mass297.07
IUPAC Name2-[4-[(3-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride
SMILESCl.NCCc1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H16ClNO.ClH/c16-14-3-1-2-13(10-14)11-18-15-6-4-12(5-7-15)8-9-17;/h1-7,10H,8-9,11,17H2;1H
InChIKeyLXTCELYVYXUYEL-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride?
The IUPAC name of 2-[4-[(3-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride (CID 22421276) is 2-[4-[(3-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[4-[(3-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride?
The canonical SMILES for 2-[4-[(3-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride is Cl.NCCc1ccc(OCc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-[4-[(3-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride?
The InChIKey is LXTCELYVYXUYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO.ClH/c16-14-3-1-2-13(10-14)11-18-15-6-4-12(5-7-15)8-9-17;/h1-7,10H,8-9,11,17H2;1H.
What are the key properties of 2-[4-[(3-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride?
2-[4-[(3-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride has a molecular weight of 298.21 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 22421276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).