N'-ethyl-N'-(2-methylphenyl)-1-(4-methylphenyl)propane-1,3-diamine

C19H26N2 — CID 63484319

IUPACN'-ethyl-N'-(2-methylphenyl)-1-(4-methylphenyl)propane-1,3-diamine
SMILESCCN(CCC(N)c1ccc(C)cc1)c1ccccc1C
InChIInChI=1S/C19H26N2/c1-4-21(19-8-6-5-7-16(19)3)14-13-18(20)17-11-9-15(2)10-12-17/h5-12,18H,4,13-14,20H2,1-3H3
InChIKeyCGCLYUKQCHTSCO-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.22
Rot. Bonds6

About N'-ethyl-N'-(2-methylphenyl)-1-(4-methylphenyl)propane-1,3-diamine

N'-ethyl-N'-(2-methylphenyl)-1-(4-methylphenyl)propane-1,3-diamine (PubChem CID 63484319) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methylphenyl)-1-(4-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methylphenyl)-1-(4-methylphenyl)propane-1,3-diamine
PubChem CID63484319
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN'-ethyl-N'-(2-methylphenyl)-1-(4-methylphenyl)propane-1,3-diamine
SMILESCCN(CCC(N)c1ccc(C)cc1)c1ccccc1C
InChIInChI=1S/C19H26N2/c1-4-21(19-8-6-5-7-16(19)3)14-13-18(20)17-11-9-15(2)10-12-17/h5-12,18H,4,13-14,20H2,1-3H3
InChIKeyCGCLYUKQCHTSCO-UHFFFAOYSA-N
XLogP4.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine
CID 43098055
N'-ethyl-N'-(2-fluorophenyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 62618774
1-(3-chlorophenyl)-N'-ethyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 63483059
1-(4-chlorophenyl)-N'-ethyl-N'-(2-fluorophenyl)propane-1,3-diamine
CID 63493331
N',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62619570
1-(4-bromophenyl)-N'-ethyl-N'-phenylpropane-1,3-diamine
CID 62618887
methyl 4-(N-ethyl-2-methylanilino)-2-(methylamino)butanoate
CID 63030085
N'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62617690
N'-ethyl-N'-(2-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 60843081
1-(2-bromophenyl)-N'-ethyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 63494059
4-(N-ethyl-2-methylanilino)-2-(propylamino)butan-1-ol
CID 64790184
N'-ethyl-N'-(2-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 79481346

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-methylphenyl)-1-(4-methylphenyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-(2-methylphenyl)-1-(4-methylphenyl)propane-1,3-diamine (CID 63484319) is N'-ethyl-N'-(2-methylphenyl)-1-(4-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-methylphenyl)-1-(4-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-(2-methylphenyl)-1-(4-methylphenyl)propane-1,3-diamine is CCN(CCC(N)c1ccc(C)cc1)c1ccccc1C.
What is the InChIKey of N'-ethyl-N'-(2-methylphenyl)-1-(4-methylphenyl)propane-1,3-diamine?
The InChIKey is CGCLYUKQCHTSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-21(19-8-6-5-7-16(19)3)14-13-18(20)17-11-9-15(2)10-12-17/h5-12,18H,4,13-14,20H2,1-3H3.
What are the key properties of N'-ethyl-N'-(2-methylphenyl)-1-(4-methylphenyl)propane-1,3-diamine?
N'-ethyl-N'-(2-methylphenyl)-1-(4-methylphenyl)propane-1,3-diamine has a molecular weight of 282.43 g/mol, XLogP of 4.22, 6 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)-1-(4-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 63484319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).