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

C21H30N2 — CID 70827105

IUPACN'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESCCc1cccc(CN(CCc2ccccc2)CCN(C)C)c1
InChIInChI=1S/C21H30N2/c1-4-19-11-8-12-21(17-19)18-23(16-15-22(2)3)14-13-20-9-6-5-7-10-20/h5-12,17H,4,13-16,18H2,1-3H3
InChIKeyGRNGYDSNPVOEPM-UHFFFAOYSA-N
MW310.49 g/mol
LogP3.86
Rot. Bonds9

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

N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(2-phenylethyl)ethane-1,2-diamine (PubChem CID 70827105) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(2-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(2-phenylethyl)ethane-1,2-diamine
PubChem CID70827105
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC NameN'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESCCc1cccc(CN(CCc2ccccc2)CCN(C)C)c1
InChIInChI=1S/C21H30N2/c1-4-19-11-8-12-21(17-19)18-23(16-15-22(2)3)14-13-20-9-6-5-7-10-20/h5-12,17H,4,13-16,18H2,1-3H3
InChIKeyGRNGYDSNPVOEPM-UHFFFAOYSA-N
XLogP3.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(2-phenylethyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-benzyl-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;butane;ethane
CID 143170387
2-(3-ethylphenyl)-N,N-dimethylethanamine
CID 68500116
N-benzyl-N-[[3-[(dibenzylamino)methyl]phenyl]methyl]-2-phenylethanamine
CID 163873740
N'-[(2,6-dichlorophenyl)methyl]-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 70827284
N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 70827126
2-[[2-(dimethylamino)ethyl-[(3-ethylphenyl)methyl]amino]methyl]benzonitrile;ethane
CID 143170148
ethane;N'-(3-ethylphenyl)-N,N-dimethyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 143170107
N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
CID 59482591
N'-(cyclohexen-1-ylmethyl)-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;ethane
CID 143169947
butane;2-[[2-(dimethylamino)ethyl-[(3-ethylphenyl)methyl]amino]methyl]-3-fluorophenol;ethane
CID 143170289
N'-[(2-ethylphenyl)methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 70827104
N'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine
CID 2059221

Frequently Asked Questions

What is the IUPAC name of N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(2-phenylethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(2-phenylethyl)ethane-1,2-diamine (CID 70827105) is N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(2-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(2-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(2-phenylethyl)ethane-1,2-diamine is CCc1cccc(CN(CCc2ccccc2)CCN(C)C)c1.
What is the InChIKey of N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(2-phenylethyl)ethane-1,2-diamine?
The InChIKey is GRNGYDSNPVOEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2/c1-4-19-11-8-12-21(17-19)18-23(16-15-22(2)3)14-13-20-9-6-5-7-10-20/h5-12,17H,4,13-16,18H2,1-3H3.
What are the key properties of N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(2-phenylethyl)ethane-1,2-diamine?
N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(2-phenylethyl)ethane-1,2-diamine has a molecular weight of 310.49 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(2-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 70827105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).