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

C22H23N — CID 131741516

IUPAC1-(2,4-dimethylphenyl)-1,2-diphenylethanamine
SMILESCc1ccc(C(N)(Cc2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C22H23N/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
InChIKeyMHIVMSXWFFQAHZ-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.75
Rot. Bonds4

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

1-(2,4-dimethylphenyl)-1,2-diphenylethanamine (PubChem CID 131741516) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-1,2-diphenylethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-1,2-diphenylethanamine
PubChem CID131741516
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name1-(2,4-dimethylphenyl)-1,2-diphenylethanamine
SMILESCc1ccc(C(N)(Cc2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C22H23N/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
InChIKeyMHIVMSXWFFQAHZ-UHFFFAOYSA-N
XLogP4.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.75
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?
The IUPAC name of 1-(2,4-dimethylphenyl)-1,2-diphenylethanamine (CID 131741516) is 1-(2,4-dimethylphenyl)-1,2-diphenylethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-1,2-diphenylethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-1,2-diphenylethanamine is Cc1ccc(C(N)(Cc2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-1,2-diphenylethanamine?
The InChIKey is MHIVMSXWFFQAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/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.
What are the key properties of 1-(2,4-dimethylphenyl)-1,2-diphenylethanamine?
1-(2,4-dimethylphenyl)-1,2-diphenylethanamine has a molecular weight of 301.43 g/mol, XLogP of 4.75, 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 is sourced from PubChem (CID 131741516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).