N,N,N',N'-tetrakis(4-methylphenyl)ethane-1,2-diamine

C30H32N2 — CID 118073970

IUPACN,N,N',N'-tetrakis(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(N(CCN(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H32N2/c1-23-5-13-27(14-6-23)31(28-15-7-24(2)8-16-28)21-22-32(29-17-9-25(3)10-18-29)30-19-11-26(4)12-20-30/h5-20H,21-22H2,1-4H3
InChIKeyRYYUEYSJNVEHIC-UHFFFAOYSA-N
MW420.60 g/mol
LogP7.90
Rot. Bonds7

About N,N,N',N'-tetrakis(4-methylphenyl)ethane-1,2-diamine

N,N,N',N'-tetrakis(4-methylphenyl)ethane-1,2-diamine (PubChem CID 118073970) has the molecular formula C30H32N2 and a molecular weight of 420.60 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(4-methylphenyl)ethane-1,2-diamine
PubChem CID118073970
Molecular FormulaC30H32N2
Molecular Weight420.60 g/mol
Exact Mass420.26
IUPAC NameN,N,N',N'-tetrakis(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(N(CCN(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H32N2/c1-23-5-13-27(14-6-23)31(28-15-7-24(2)8-16-28)21-22-32(29-17-9-25(3)10-18-29)30-19-11-26(4)12-20-30/h5-20H,21-22H2,1-4H3
InChIKeyRYYUEYSJNVEHIC-UHFFFAOYSA-N
XLogP7.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methyl-N-(4-methylphenyl)anilino)ethyl methanesulfonate
CID 91734245
1,2-bis(4-methylphenyl)-1,2-dipropylhydrazine
CID 135017114
N,N,N',N'-tetrakis[4-[4-[2-(4-methylphenyl)-1-phenylethenyl]phenyl]phenyl]ethane-1,2-diamine
CID 142720916
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 90265189
ethane;4-methyl-N,N-dipropylaniline
CID 143993396
N,4-dimethyl-N-propylaniline
CID 14671247
ethane;N-(4-methylphenyl)-N-propylpyrimidin-2-amine
CID 143594322
N-ethyl-N,4-dimethylaniline
CID 3036494
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269
ethane;4-methyl-N-(2-methylpropyl)-N-phenylaniline
CID 144663906
N'-[(3Z,5Z)-5-methylocta-3,5-dien-2-yl]-N,N,N'-tris(4-methylphenyl)ethane-1,2-diamine
CID 146589451

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N,N,N',N'-tetrakis(4-methylphenyl)ethane-1,2-diamine (CID 118073970) is N,N,N',N'-tetrakis(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N,N,N',N'-tetrakis(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N,N,N',N'-tetrakis(4-methylphenyl)ethane-1,2-diamine is Cc1ccc(N(CCN(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of N,N,N',N'-tetrakis(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is RYYUEYSJNVEHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2/c1-23-5-13-27(14-6-23)31(28-15-7-24(2)8-16-28)21-22-32(29-17-9-25(3)10-18-29)30-19-11-26(4)12-20-30/h5-20H,21-22H2,1-4H3.
What are the key properties of N,N,N',N'-tetrakis(4-methylphenyl)ethane-1,2-diamine?
N,N,N',N'-tetrakis(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 420.60 g/mol, XLogP of 7.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 118073970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).