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

C14H15Cl2N — CID 66523802

IUPAC2-[4-(4-chlorophenyl)phenyl]ethanamine;hydrochloride
SMILESCl.NCCc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H14ClN.ClH/c15-14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-10-16;/h1-8H,9-10,16H2;1H
InChIKeyPXDAKLXDIDIPLW-UHFFFAOYSA-N
MW268.19 g/mol
LogP3.93
Rot. Bonds3

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

2-[4-(4-chlorophenyl)phenyl]ethanamine;hydrochloride (PubChem CID 66523802) has the molecular formula C14H15Cl2N and a molecular weight of 268.19 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)phenyl]ethanamine;hydrochloride
PubChem CID66523802
Molecular FormulaC14H15Cl2N
Molecular Weight268.19 g/mol
Exact Mass267.06
IUPAC Name2-[4-(4-chlorophenyl)phenyl]ethanamine;hydrochloride
SMILESCl.NCCc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H14ClN.ClH/c15-14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-10-16;/h1-8H,9-10,16H2;1H
InChIKeyPXDAKLXDIDIPLW-UHFFFAOYSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)phenyl]ethanamine;hydrochloride?
The IUPAC name of 2-[4-(4-chlorophenyl)phenyl]ethanamine;hydrochloride (CID 66523802) is 2-[4-(4-chlorophenyl)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[4-(4-chlorophenyl)phenyl]ethanamine;hydrochloride?
The canonical SMILES for 2-[4-(4-chlorophenyl)phenyl]ethanamine;hydrochloride is Cl.NCCc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)phenyl]ethanamine;hydrochloride?
The InChIKey is PXDAKLXDIDIPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN.ClH/c15-14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-10-16;/h1-8H,9-10,16H2;1H.
What are the key properties of 2-[4-(4-chlorophenyl)phenyl]ethanamine;hydrochloride?
2-[4-(4-chlorophenyl)phenyl]ethanamine;hydrochloride has a molecular weight of 268.19 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 66523802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).