1-(2,4-dimethylphenyl)-1,2-diphenylethanamine;hydrochloride

C22H24ClN — CID 131741515

IUPAC1-(2,4-dimethylphenyl)-1,2-diphenylethanamine;hydrochloride
SMILESCc1ccc(C(N)(Cc2ccccc2)c2ccccc2)c(C)c1.Cl
InChIInChI=1S/C22H23N.ClH/c1-17-13-14-21(18(2)15-17)22(23,20-11-7-4-8-12-20)16-19-9-5-3-6-10-19;/h3-15H,16,23H2,1-2H3;1H
InChIKeyGFJFTMPEPJCPBS-UHFFFAOYSA-N
MW337.89 g/mol
LogP5.17
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-1,2-diphenylethanamine;hydrochloride

1-(2,4-dimethylphenyl)-1,2-diphenylethanamine;hydrochloride (PubChem CID 131741515) has the molecular formula C22H24ClN and a molecular weight of 337.89 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-1,2-diphenylethanamine;hydrochloride.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-1,2-diphenylethanamine;hydrochloride
PubChem CID131741515
Molecular FormulaC22H24ClN
Molecular Weight337.89 g/mol
Exact Mass337.16
IUPAC Name1-(2,4-dimethylphenyl)-1,2-diphenylethanamine;hydrochloride
SMILESCc1ccc(C(N)(Cc2ccccc2)c2ccccc2)c(C)c1.Cl
InChIInChI=1S/C22H23N.ClH/c1-17-13-14-21(18(2)15-17)22(23,20-11-7-4-8-12-20)16-19-9-5-3-6-10-19;/h3-15H,16,23H2,1-2H3;1H
InChIKeyGFJFTMPEPJCPBS-UHFFFAOYSA-N
XLogP5.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.89
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-1,2-diphenylethanamine;hydrochloride?
The IUPAC name of 1-(2,4-dimethylphenyl)-1,2-diphenylethanamine;hydrochloride (CID 131741515) is 1-(2,4-dimethylphenyl)-1,2-diphenylethanamine;hydrochloride.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-1,2-diphenylethanamine;hydrochloride?
The canonical SMILES for 1-(2,4-dimethylphenyl)-1,2-diphenylethanamine;hydrochloride is Cc1ccc(C(N)(Cc2ccccc2)c2ccccc2)c(C)c1.Cl.
What is the InChIKey of 1-(2,4-dimethylphenyl)-1,2-diphenylethanamine;hydrochloride?
The InChIKey is GFJFTMPEPJCPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N.ClH/c1-17-13-14-21(18(2)15-17)22(23,20-11-7-4-8-12-20)16-19-9-5-3-6-10-19;/h3-15H,16,23H2,1-2H3;1H.
What are the key properties of 1-(2,4-dimethylphenyl)-1,2-diphenylethanamine;hydrochloride?
1-(2,4-dimethylphenyl)-1,2-diphenylethanamine;hydrochloride has a molecular weight of 337.89 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-1,2-diphenylethanamine;hydrochloride is sourced from PubChem (CID 131741515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).