ethane;3-methyl-N,N-diphenylaniline

C21H23N — CID 145208007

IUPACethane;3-methyl-N,N-diphenylaniline
SMILESCC.Cc1cccc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H17N.C2H6/c1-16-9-8-14-19(15-16)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18;1-2/h2-15H,1H3;1-2H3
InChIKeyIYXDNWBBOVSUSO-UHFFFAOYSA-N
MW289.42 g/mol
LogP6.49
Rot. Bonds3

About ethane;3-methyl-N,N-diphenylaniline

ethane;3-methyl-N,N-diphenylaniline (PubChem CID 145208007) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is ethane;3-methyl-N,N-diphenylaniline.

Molecular Properties

Compound Nameethane;3-methyl-N,N-diphenylaniline
PubChem CID145208007
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Nameethane;3-methyl-N,N-diphenylaniline
SMILESCC.Cc1cccc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H17N.C2H6/c1-16-9-8-14-19(15-16)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18;1-2/h2-15H,1H3;1-2H3
InChIKeyIYXDNWBBOVSUSO-UHFFFAOYSA-N
XLogP6.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
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
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
methanethiol;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 144536774
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
4-methyl-N,N-diphenylaniline;3-methyl-N-(3-methylphenyl)-N-(4-methylphenyl)aniline;N-methyl-N-phenylaniline;4-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 160844016
2,3,5,6-tetramethyl-1-N,1-N-diphenyl-4-N-[2,3,5,6-tetramethyl-4-(N-(3-methylphenyl)anilino)phenyl]-4-N-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 20720491
1-N,5-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,5-N-diphenylnaphthalene-1,5-diamine
CID 20754061
1-N,4-N-bis[4-(4-methoxy-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59738736
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528
3,5-dimethyl-N,N-diphenylaniline
CID 10516410

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-N,N-diphenylaniline?
The IUPAC name of ethane;3-methyl-N,N-diphenylaniline (CID 145208007) is ethane;3-methyl-N,N-diphenylaniline.
What is the SMILES notation for ethane;3-methyl-N,N-diphenylaniline?
The canonical SMILES for ethane;3-methyl-N,N-diphenylaniline is CC.Cc1cccc(N(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of ethane;3-methyl-N,N-diphenylaniline?
The InChIKey is IYXDNWBBOVSUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N.C2H6/c1-16-9-8-14-19(15-16)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18;1-2/h2-15H,1H3;1-2H3.
What are the key properties of ethane;3-methyl-N,N-diphenylaniline?
ethane;3-methyl-N,N-diphenylaniline has a molecular weight of 289.42 g/mol, XLogP of 6.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-N,N-diphenylaniline is sourced from PubChem (CID 145208007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).