N'-ethyl-N-(3-methylphenyl)-N'-propylethane-1,2-diamine

C14H24N2 — CID 62575820

IUPACN'-ethyl-N-(3-methylphenyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNc1cccc(C)c1
InChIInChI=1S/C14H24N2/c1-4-10-16(5-2)11-9-15-14-8-6-7-13(3)12-14/h6-8,12,15H,4-5,9-11H2,1-3H3
InChIKeyIHXSDZBEAQWIEP-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.14
Rot. Bonds7

About N'-ethyl-N-(3-methylphenyl)-N'-propylethane-1,2-diamine

N'-ethyl-N-(3-methylphenyl)-N'-propylethane-1,2-diamine (PubChem CID 62575820) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N'-ethyl-N-(3-methylphenyl)-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-(3-methylphenyl)-N'-propylethane-1,2-diamine
PubChem CID62575820
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN'-ethyl-N-(3-methylphenyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNc1cccc(C)c1
InChIInChI=1S/C14H24N2/c1-4-10-16(5-2)11-9-15-14-8-6-7-13(3)12-14/h6-8,12,15H,4-5,9-11H2,1-3H3
InChIKeyIHXSDZBEAQWIEP-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N,N-dimethyl-N'-[2-(3-methylanilino)ethyl]propane-1,3-diamine
CID 102997765
N'-butan-2-yl-N'-ethyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62561849
2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(3-methylanilino)ethyl]propane-1,2-diamine
CID 103191842
4-N-[2-[ethyl(propyl)amino]ethyl]benzene-1,2,4-triamine
CID 114133127
N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 62555115
N'-(3,5-dimethylphenyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 63501684
N'-butan-2-yl-N'-ethyl-N-(3-methylphenyl)pentane-1,5-diamine
CID 20728490
N'-methyl-N-(3-methylphenyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112666020
N'-methyl-N'-(2-methylbutyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 62560569
N'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102994521
N-(4-bromo-3-methylphenyl)-N',N'-diethylethane-1,2-diamine
CID 28574811
N'-[2-(3-chloroanilino)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997769

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(3-methylphenyl)-N'-propylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-(3-methylphenyl)-N'-propylethane-1,2-diamine (CID 62575820) is N'-ethyl-N-(3-methylphenyl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-(3-methylphenyl)-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-(3-methylphenyl)-N'-propylethane-1,2-diamine is CCCN(CC)CCNc1cccc(C)c1.
What is the InChIKey of N'-ethyl-N-(3-methylphenyl)-N'-propylethane-1,2-diamine?
The InChIKey is IHXSDZBEAQWIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-10-16(5-2)11-9-15-14-8-6-7-13(3)12-14/h6-8,12,15H,4-5,9-11H2,1-3H3.
What are the key properties of N'-ethyl-N-(3-methylphenyl)-N'-propylethane-1,2-diamine?
N'-ethyl-N-(3-methylphenyl)-N'-propylethane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(3-methylphenyl)-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62575820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).