N'-[(2-ethylphenyl)methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine

C21H30N2 — CID 70827104

IUPACN'-[(2-ethylphenyl)methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
SMILESCCc1ccccc1CN(CCN(C)C)Cc1cccc(C)c1
InChIInChI=1S/C21H30N2/c1-5-20-11-6-7-12-21(20)17-23(14-13-22(3)4)16-19-10-8-9-18(2)15-19/h6-12,15H,5,13-14,16-17H2,1-4H3
InChIKeyKCUGYSARALTJRX-UHFFFAOYSA-N
MW310.49 g/mol
LogP4.12
Rot. Bonds8

About N'-[(2-ethylphenyl)methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine

N'-[(2-ethylphenyl)methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine (PubChem CID 70827104) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is N'-[(2-ethylphenyl)methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-ethylphenyl)methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
PubChem CID70827104
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC NameN'-[(2-ethylphenyl)methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
SMILESCCc1ccccc1CN(CCN(C)C)Cc1cccc(C)c1
InChIInChI=1S/C21H30N2/c1-5-20-11-6-7-12-21(20)17-23(14-13-22(3)4)16-19-10-8-9-18(2)15-19/h6-12,15H,5,13-14,16-17H2,1-4H3
InChIKeyKCUGYSARALTJRX-UHFFFAOYSA-N
XLogP4.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(dimethylamino)ethyl-[(3-ethylphenyl)methyl]amino]methyl]benzonitrile;ethane
CID 143170148
N'-benzyl-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;butane;ethane
CID 143170387
N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 39357118
N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 70827105
2-[[benzyl-[2-(dimethylamino)ethyl]amino]methyl]phenol;oxalic acid
CID 126468036
N'-benzyl-N'-[(2,3-dichlorophenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 20628585
N'-benzyl-N'-[[2-methoxy-3-(2-methylpropyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine
CID 70821309
N'-[(2,6-dichlorophenyl)methyl]-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 70827284
ethane;bis(1-ethyl-3-methylbenzene)
CID 142878274
N-decyl-N-[(3-methylphenyl)methyl]decan-1-amine
CID 6426056
N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 71201517
N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 70827126

Frequently Asked Questions

What is the IUPAC name of N'-[(2-ethylphenyl)methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(2-ethylphenyl)methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine (CID 70827104) is N'-[(2-ethylphenyl)methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(2-ethylphenyl)methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(2-ethylphenyl)methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine is CCc1ccccc1CN(CCN(C)C)Cc1cccc(C)c1.
What is the InChIKey of N'-[(2-ethylphenyl)methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is KCUGYSARALTJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2/c1-5-20-11-6-7-12-21(20)17-23(14-13-22(3)4)16-19-10-8-9-18(2)15-19/h6-12,15H,5,13-14,16-17H2,1-4H3.
What are the key properties of N'-[(2-ethylphenyl)methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
N'-[(2-ethylphenyl)methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 310.49 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-ethylphenyl)methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 70827104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).