1-(2,5-dimethylphenyl)-N'-ethyl-N'-(4-methylphenyl)ethane-1,2-diamine

C19H26N2 — CID 63470194

IUPAC1-(2,5-dimethylphenyl)-N'-ethyl-N'-(4-methylphenyl)ethane-1,2-diamine
SMILESCCN(CC(N)c1cc(C)ccc1C)c1ccc(C)cc1
InChIInChI=1S/C19H26N2/c1-5-21(17-10-7-14(2)8-11-17)13-19(20)18-12-15(3)6-9-16(18)4/h6-12,19H,5,13,20H2,1-4H3
InChIKeyKAJSIARXAQFIDJ-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.14
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(4-methylphenyl)ethane-1,2-diamine

1-(2,5-dimethylphenyl)-N'-ethyl-N'-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 63470194) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N'-ethyl-N'-(4-methylphenyl)ethane-1,2-diamine
PubChem CID63470194
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name1-(2,5-dimethylphenyl)-N'-ethyl-N'-(4-methylphenyl)ethane-1,2-diamine
SMILESCCN(CC(N)c1cc(C)ccc1C)c1ccc(C)cc1
InChIInChI=1S/C19H26N2/c1-5-21(17-10-7-14(2)8-11-17)13-19(20)18-12-15(3)6-9-16(18)4/h6-12,19H,5,13,20H2,1-4H3
InChIKeyKAJSIARXAQFIDJ-UHFFFAOYSA-N
XLogP4.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N'-butan-2-yl-1-(2,5-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 43272877
1-(2,5-dimethylphenyl)-4-methylpentan-1-amine
CID 43100717
1-(2,5-dimethylphenyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 61450976
2-chloro-1-(2,5-dimethylphenyl)ethanamine
CID 116937497
1-(2,5-dimethylphenyl)propane-1,3-diamine
CID 116932732
1-(2,5-dimethylphenyl)butane-1,3-diamine
CID 116933200
N'-ethyl-N'-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291264
N'-ethyl-1-(2-methoxyphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61076765
1-N-ethyl-2-methyl-1-N-(4-methylphenyl)heptane-1,6-diamine
CID 65296088
(4R)-4-amino-4-(2,5-dimethylphenyl)butan-1-ol
CID 55265559
(2,5-dimethylphenyl)-(4-ethylphenyl)methanamine
CID 43198611
2-[[2-(diethylamino)-5-methylphenyl]-[4-(diethylamino)phenyl]methyl]-N,N-diethyl-4-methylaniline
CID 69278893

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(4-methylphenyl)ethane-1,2-diamine (CID 63470194) is 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(4-methylphenyl)ethane-1,2-diamine is CCN(CC(N)c1cc(C)ccc1C)c1ccc(C)cc1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is KAJSIARXAQFIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-5-21(17-10-7-14(2)8-11-17)13-19(20)18-12-15(3)6-9-16(18)4/h6-12,19H,5,13,20H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(4-methylphenyl)ethane-1,2-diamine?
1-(2,5-dimethylphenyl)-N'-ethyl-N'-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 282.43 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N'-ethyl-N'-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 63470194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).