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

C14H24N2 — CID 61386867

IUPACN'-ethyl-N'-(2-methylphenyl)-N-propylethane-1,2-diamine
SMILESCCCNCCN(CC)c1ccccc1C
InChIInChI=1S/C14H24N2/c1-4-10-15-11-12-16(5-2)14-9-7-6-8-13(14)3/h6-9,15H,4-5,10-12H2,1-3H3
InChIKeyVFKIXSFXDQILHR-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.82
Rot. Bonds7

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

N'-ethyl-N'-(2-methylphenyl)-N-propylethane-1,2-diamine (PubChem CID 61386867) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methylphenyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methylphenyl)-N-propylethane-1,2-diamine
PubChem CID61386867
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN'-ethyl-N'-(2-methylphenyl)-N-propylethane-1,2-diamine
SMILESCCCNCCN(CC)c1ccccc1C
InChIInChI=1S/C14H24N2/c1-4-10-15-11-12-16(5-2)14-9-7-6-8-13(14)3/h6-9,15H,4-5,10-12H2,1-3H3
InChIKeyVFKIXSFXDQILHR-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)ethane-1,2-diamine
CID 62575841
N'-ethyl-N'-(2-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 60843081
N'-ethyl-N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62574145
N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2-methylphenyl)ethane-1,2-diamine
CID 62573232
N'-ethyl-N'-(2-methylphenyl)-N-phenylpropane-1,3-diamine
CID 63503025
N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 62569298
N-(4-bromophenyl)-N'-ethyl-N'-(2-methylphenyl)ethane-1,2-diamine
CID 63503202
N'-ethyl-N'-(2-methylphenyl)-N-pyrimidin-2-ylethane-1,2-diamine
CID 75415758
4-(N-ethyl-2-methylanilino)-2-(propylamino)butan-1-ol
CID 64790184
4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)butan-1-ol
CID 64790380
N'-ethyl-N-(3-fluorophenyl)-N'-(2-methylphenyl)ethane-1,2-diamine
CID 63503875
N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703807

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-methylphenyl)-N-propylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(2-methylphenyl)-N-propylethane-1,2-diamine (CID 61386867) is N'-ethyl-N'-(2-methylphenyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-methylphenyl)-N-propylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(2-methylphenyl)-N-propylethane-1,2-diamine is CCCNCCN(CC)c1ccccc1C.
What is the InChIKey of N'-ethyl-N'-(2-methylphenyl)-N-propylethane-1,2-diamine?
The InChIKey is VFKIXSFXDQILHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-10-15-11-12-16(5-2)14-9-7-6-8-13(14)3/h6-9,15H,4-5,10-12H2,1-3H3.
What are the key properties of N'-ethyl-N'-(2-methylphenyl)-N-propylethane-1,2-diamine?
N'-ethyl-N'-(2-methylphenyl)-N-propylethane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-methylphenyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 61386867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).