ethane;1-N-methyl-2-N-(2-methyl-5-phenylphenyl)benzene-1,2-diamine

C22H26N2 — CID 143291744

IUPACethane;1-N-methyl-2-N-(2-methyl-5-phenylphenyl)benzene-1,2-diamine
SMILESCC.CNc1ccccc1Nc1cc(-c2ccccc2)ccc1C
InChIInChI=1S/C20H20N2.C2H6/c1-15-12-13-17(16-8-4-3-5-9-16)14-20(15)22-19-11-7-6-10-18(19)21-2;1-2/h3-14,21-22H,1-2H3;1-2H3
InChIKeyIDFJHPQXFNIEOJ-UHFFFAOYSA-N
MW318.46 g/mol
LogP6.47
Rot. Bonds4

About ethane;1-N-methyl-2-N-(2-methyl-5-phenylphenyl)benzene-1,2-diamine

ethane;1-N-methyl-2-N-(2-methyl-5-phenylphenyl)benzene-1,2-diamine (PubChem CID 143291744) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is ethane;1-N-methyl-2-N-(2-methyl-5-phenylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Nameethane;1-N-methyl-2-N-(2-methyl-5-phenylphenyl)benzene-1,2-diamine
PubChem CID143291744
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Nameethane;1-N-methyl-2-N-(2-methyl-5-phenylphenyl)benzene-1,2-diamine
SMILESCC.CNc1ccccc1Nc1cc(-c2ccccc2)ccc1C
InChIInChI=1S/C20H20N2.C2H6/c1-15-12-13-17(16-8-4-3-5-9-16)14-20(15)22-19-11-7-6-10-18(19)21-2;1-2/h3-14,21-22H,1-2H3;1-2H3
InChIKeyIDFJHPQXFNIEOJ-UHFFFAOYSA-N
XLogP6.47
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-N-methyl-2-N-(2-methyl-5-phenylphenyl)benzene-1,2-diamine?
The IUPAC name of ethane;1-N-methyl-2-N-(2-methyl-5-phenylphenyl)benzene-1,2-diamine (CID 143291744) is ethane;1-N-methyl-2-N-(2-methyl-5-phenylphenyl)benzene-1,2-diamine.
What is the SMILES notation for ethane;1-N-methyl-2-N-(2-methyl-5-phenylphenyl)benzene-1,2-diamine?
The canonical SMILES for ethane;1-N-methyl-2-N-(2-methyl-5-phenylphenyl)benzene-1,2-diamine is CC.CNc1ccccc1Nc1cc(-c2ccccc2)ccc1C.
What is the InChIKey of ethane;1-N-methyl-2-N-(2-methyl-5-phenylphenyl)benzene-1,2-diamine?
The InChIKey is IDFJHPQXFNIEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2.C2H6/c1-15-12-13-17(16-8-4-3-5-9-16)14-20(15)22-19-11-7-6-10-18(19)21-2;1-2/h3-14,21-22H,1-2H3;1-2H3.
What are the key properties of ethane;1-N-methyl-2-N-(2-methyl-5-phenylphenyl)benzene-1,2-diamine?
ethane;1-N-methyl-2-N-(2-methyl-5-phenylphenyl)benzene-1,2-diamine has a molecular weight of 318.46 g/mol, XLogP of 6.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-N-methyl-2-N-(2-methyl-5-phenylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 143291744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).