2,5-dimethyl-N-(3-methylphenyl)-N-phenylaniline

C21H21N — CID 58932053

IUPAC2,5-dimethyl-N-(3-methylphenyl)-N-phenylaniline
SMILESCc1cccc(N(c2ccccc2)c2cc(C)ccc2C)c1
InChIInChI=1S/C21H21N/c1-16-8-7-11-20(14-16)22(19-9-5-4-6-10-19)21-15-17(2)12-13-18(21)3/h4-15H,1-3H3
InChIKeyJSKBMHVKBLMARB-UHFFFAOYSA-N
MW287.41 g/mol
LogP6.08
Rot. Bonds3

About 2,5-dimethyl-N-(3-methylphenyl)-N-phenylaniline

2,5-dimethyl-N-(3-methylphenyl)-N-phenylaniline (PubChem CID 58932053) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 2,5-dimethyl-N-(3-methylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name2,5-dimethyl-N-(3-methylphenyl)-N-phenylaniline
PubChem CID58932053
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name2,5-dimethyl-N-(3-methylphenyl)-N-phenylaniline
SMILESCc1cccc(N(c2ccccc2)c2cc(C)ccc2C)c1
InChIInChI=1S/C21H21N/c1-16-8-7-11-20(14-16)22(19-9-5-4-6-10-19)21-15-17(2)12-13-18(21)3/h4-15H,1-3H3
InChIKeyJSKBMHVKBLMARB-UHFFFAOYSA-N
XLogP6.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-1-N,3-N-diphenyl-1-N,3-N-bis[4-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 158926819
2,3-dimethyl-N-(3-methylphenyl)-N-phenylaniline
CID 139772462
ethane;3-methyl-N,N-diphenylaniline
CID 145208007
16-N-(2,5-dimethylphenyl)-6-N,6-N,16-N-triphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166033163
3-N-(2,4-dimethylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 54226446
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
2,5-dimethyl-N-[4-[(1E)-8-phenylocta-1,3,5,7-tetraenyl]phenyl]-N-[4-(8-phenylocta-1,3,5,7-tetraenyl)phenyl]aniline
CID 123769354
2-methyl-1-N,3-N-bis[2-methyl-5-(N-phenylanilino)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 170274288
1-N,5-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,5-N-diphenylnaphthalene-1,5-diamine
CID 20754061
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
1-N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N,4-N-tris(3-methylphenyl)benzene-1,4-diamine
CID 20734413
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(3-methylphenyl)-N-phenylaniline?
The IUPAC name of 2,5-dimethyl-N-(3-methylphenyl)-N-phenylaniline (CID 58932053) is 2,5-dimethyl-N-(3-methylphenyl)-N-phenylaniline.
What is the SMILES notation for 2,5-dimethyl-N-(3-methylphenyl)-N-phenylaniline?
The canonical SMILES for 2,5-dimethyl-N-(3-methylphenyl)-N-phenylaniline is Cc1cccc(N(c2ccccc2)c2cc(C)ccc2C)c1.
What is the InChIKey of 2,5-dimethyl-N-(3-methylphenyl)-N-phenylaniline?
The InChIKey is JSKBMHVKBLMARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-16-8-7-11-20(14-16)22(19-9-5-4-6-10-19)21-15-17(2)12-13-18(21)3/h4-15H,1-3H3.
What are the key properties of 2,5-dimethyl-N-(3-methylphenyl)-N-phenylaniline?
2,5-dimethyl-N-(3-methylphenyl)-N-phenylaniline has a molecular weight of 287.41 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(3-methylphenyl)-N-phenylaniline is sourced from PubChem (CID 58932053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).