N-(2,4-dimethylphenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine

C19H26N2 — CID 54805959

IUPACN-(2,4-dimethylphenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
SMILESCCC(NCCNc1ccc(C)cc1C)c1ccccc1
InChIInChI=1S/C19H26N2/c1-4-18(17-8-6-5-7-9-17)20-12-13-21-19-11-10-15(2)14-16(19)3/h5-11,14,18,20-21H,4,12-13H2,1-3H3
InChIKeyXCLWIDULUXALBA-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.46
Rot. Bonds7

About N-(2,4-dimethylphenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine

N-(2,4-dimethylphenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine (PubChem CID 54805959) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
PubChem CID54805959
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-(2,4-dimethylphenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
SMILESCCC(NCCNc1ccc(C)cc1C)c1ccccc1
InChIInChI=1S/C19H26N2/c1-4-18(17-8-6-5-7-9-17)20-12-13-21-19-11-10-15(2)14-16(19)3/h5-11,14,18,20-21H,4,12-13H2,1-3H3
InChIKeyXCLWIDULUXALBA-UHFFFAOYSA-N
XLogP4.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethylphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 40629630
2-fluoro-4-methyl-N-(1-phenylpropyl)aniline
CID 43114235
N-(2,3-dichlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54809490
1-phenyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 62048044
2,5-dimethyl-N-(1-phenylbutyl)aniline
CID 43110358
N-[1-(3-chlorophenyl)propyl]-2,4-dimethylaniline
CID 43108475
N'-(1-phenylpropyl)propane-1,3-diamine
CID 60889497
N'-(1-phenylpropyl)-N-propylethane-1,2-diamine
CID 54810053
4-methyl-2-[(1-phenylpropylamino)methyl]phenol
CID 55206089
N-(3-chlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54806636
N-butyl-N'-(2,4-dimethylphenyl)ethane-1,2-diamine
CID 54805874
2,4-dimethyl-N-[2-(2-methylphenyl)ethyl]aniline
CID 54796543

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine?
The IUPAC name of N-(2,4-dimethylphenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine (CID 54805959) is N-(2,4-dimethylphenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-(2,4-dimethylphenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine is CCC(NCCNc1ccc(C)cc1C)c1ccccc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine?
The InChIKey is XCLWIDULUXALBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-18(17-8-6-5-7-9-17)20-12-13-21-19-11-10-15(2)14-16(19)3/h5-11,14,18,20-21H,4,12-13H2,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine?
N-(2,4-dimethylphenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine has a molecular weight of 282.43 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 54805959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).