N,N,N',N'-tetrakis[(2-methylphenyl)methyl]ethane-1,2-diamine

C34H40N2 — CID 86028064

IUPACN,N,N',N'-tetrakis[(2-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccccc1CN(CCN(Cc1ccccc1C)Cc1ccccc1C)Cc1ccccc1C
InChIInChI=1S/C34H40N2/c1-27-13-5-9-17-31(27)23-35(24-32-18-10-6-14-28(32)2)21-22-36(25-33-19-11-7-15-29(33)3)26-34-20-12-8-16-30(34)4/h5-20H,21-26H2,1-4H3
InChIKeyQMDUFNGIISWTEY-UHFFFAOYSA-N
MW476.71 g/mol
LogP7.62
Rot. Bonds11

About N,N,N',N'-tetrakis[(2-methylphenyl)methyl]ethane-1,2-diamine

N,N,N',N'-tetrakis[(2-methylphenyl)methyl]ethane-1,2-diamine (PubChem CID 86028064) has the molecular formula C34H40N2 and a molecular weight of 476.71 g/mol. Its IUPAC name is N,N,N',N'-tetrakis[(2-methylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetrakis[(2-methylphenyl)methyl]ethane-1,2-diamine
PubChem CID86028064
Molecular FormulaC34H40N2
Molecular Weight476.71 g/mol
Exact Mass476.32
IUPAC NameN,N,N',N'-tetrakis[(2-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccccc1CN(CCN(Cc1ccccc1C)Cc1ccccc1C)Cc1ccccc1C
InChIInChI=1S/C34H40N2/c1-27-13-5-9-17-31(27)23-35(24-32-18-10-6-14-28(32)2)21-22-36(25-33-19-11-7-15-29(33)3)26-34-20-12-8-16-30(34)4/h5-20H,21-26H2,1-4H3
InChIKeyQMDUFNGIISWTEY-UHFFFAOYSA-N
XLogP7.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.71
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-hydroxyethyl-[(2-methylphenyl)methyl]amino]ethanol
CID 44719349
N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 46985889
2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol
CID 111423251
1-(2-methylphenyl)-N,N-bis(trimethylsilyl)methanamine
CID 13493569
N-methyl-N-[(2-methylphenyl)methyl]ethenamine
CID 163372519
N'-ethyl-N'-[(2-methylphenyl)methyl]pentane-1,5-diamine
CID 54965709
2-[bis[(2-methylphenyl)methyl]amino]ethyl benzoate;hydrochloride
CID 173359238
2-[[2-[6-hydroxyhexyl-[(2-methylphenyl)methyl]amino]ethyl-(hydroxymethyl)amino]methyl]phenol
CID 134530594
4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]aniline
CID 43458817
CID 178178238
CID 178178238
ethane;(2-methylphenyl)methanethiol
CID 142152334
3-[3-hydroxypropyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 82327795

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis[(2-methylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N,N',N'-tetrakis[(2-methylphenyl)methyl]ethane-1,2-diamine (CID 86028064) is N,N,N',N'-tetrakis[(2-methylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N',N'-tetrakis[(2-methylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N',N'-tetrakis[(2-methylphenyl)methyl]ethane-1,2-diamine is Cc1ccccc1CN(CCN(Cc1ccccc1C)Cc1ccccc1C)Cc1ccccc1C.
What is the InChIKey of N,N,N',N'-tetrakis[(2-methylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is QMDUFNGIISWTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N2/c1-27-13-5-9-17-31(27)23-35(24-32-18-10-6-14-28(32)2)21-22-36(25-33-19-11-7-15-29(33)3)26-34-20-12-8-16-30(34)4/h5-20H,21-26H2,1-4H3.
What are the key properties of N,N,N',N'-tetrakis[(2-methylphenyl)methyl]ethane-1,2-diamine?
N,N,N',N'-tetrakis[(2-methylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 476.71 g/mol, XLogP of 7.62, 11 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[(2-methylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 86028064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).