4-N-[3-[4-(ethylamino)anilino]propyl]benzene-1,4-diamine

C17H24N4 — CID 163689454

IUPAC4-N-[3-[4-(ethylamino)anilino]propyl]benzene-1,4-diamine
SMILESCCNc1ccc(NCCCNc2ccc(N)cc2)cc1
InChIInChI=1S/C17H24N4/c1-2-19-15-8-10-17(11-9-15)21-13-3-12-20-16-6-4-14(18)5-7-16/h4-11,19-21H,2-3,12-13,18H2,1H3
InChIKeyJRRWLKHRARIFBH-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.61
Rot. Bonds8

About 4-N-[3-[4-(ethylamino)anilino]propyl]benzene-1,4-diamine

4-N-[3-[4-(ethylamino)anilino]propyl]benzene-1,4-diamine (PubChem CID 163689454) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N-[3-[4-(ethylamino)anilino]propyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[3-[4-(ethylamino)anilino]propyl]benzene-1,4-diamine
PubChem CID163689454
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N-[3-[4-(ethylamino)anilino]propyl]benzene-1,4-diamine
SMILESCCNc1ccc(NCCCNc2ccc(N)cc2)cc1
InChIInChI=1S/C17H24N4/c1-2-19-15-8-10-17(11-9-15)21-13-3-12-20-16-6-4-14(18)5-7-16/h4-11,19-21H,2-3,12-13,18H2,1H3
InChIKeyJRRWLKHRARIFBH-UHFFFAOYSA-N
XLogP3.61
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-ethyl-4-N-[4-[4-(ethylamino)anilino]butyl]benzene-1,4-diamine
CID 18622915
4-[4-(octadecylamino)phenyl]aniline
CID 102249845
tris[3-(4-aminoanilino)propyl]-methylazanium
CID 163610108
4-N-(6-aminohexyl)benzene-1,4-diamine
CID 150601904
3-(4-aminoanilino)propyl-[3-[3-(4-aminoanilino)propyl-dimethylazaniumyl]propyl]-dimethylazanium
CID 15868545
4-N-[4-(4-aminophenyl)butyl]benzene-1,4-diamine
CID 58212339
4-[4-(butylamino)phenyl]sulfonylaniline
CID 73012667
4-N-(3-butylsulfonylpropyl)benzene-1,4-diamine
CID 58586711
4-N-(6-methylheptyl)benzene-1,4-diamine
CID 141141781
4-N-(7-methylsulfonylheptyl)benzene-1,4-diamine
CID 139472179
4-N-(2-bromoethyl)benzene-1,4-diamine
CID 70360117
4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine
CID 106036365

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[4-(ethylamino)anilino]propyl]benzene-1,4-diamine?
The IUPAC name of 4-N-[3-[4-(ethylamino)anilino]propyl]benzene-1,4-diamine (CID 163689454) is 4-N-[3-[4-(ethylamino)anilino]propyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[3-[4-(ethylamino)anilino]propyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[3-[4-(ethylamino)anilino]propyl]benzene-1,4-diamine is CCNc1ccc(NCCCNc2ccc(N)cc2)cc1.
What is the InChIKey of 4-N-[3-[4-(ethylamino)anilino]propyl]benzene-1,4-diamine?
The InChIKey is JRRWLKHRARIFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-2-19-15-8-10-17(11-9-15)21-13-3-12-20-16-6-4-14(18)5-7-16/h4-11,19-21H,2-3,12-13,18H2,1H3.
What are the key properties of 4-N-[3-[4-(ethylamino)anilino]propyl]benzene-1,4-diamine?
4-N-[3-[4-(ethylamino)anilino]propyl]benzene-1,4-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.61, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[4-(ethylamino)anilino]propyl]benzene-1,4-diamine is sourced from PubChem (CID 163689454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).