4-[2-(4-aminophenyl)ethyl]aniline;2,5-dichlorobenzene-1,4-diamine

C20H22Cl2N4 — CID 159824858

IUPAC4-[2-(4-aminophenyl)ethyl]aniline;2,5-dichlorobenzene-1,4-diamine
SMILESNc1cc(Cl)c(N)cc1Cl.Nc1ccc(CCc2ccc(N)cc2)cc1
InChIInChI=1S/C14H16N2.C6H6Cl2N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12;7-3-1-5(9)4(8)2-6(3)10/h3-10H,1-2,15-16H2;1-2H,9-10H2
InChIKeyNMRZPBFPRQTEDK-UHFFFAOYSA-N
MW389.33 g/mol
LogP4.79
Rot. Bonds3

About 4-[2-(4-aminophenyl)ethyl]aniline;2,5-dichlorobenzene-1,4-diamine

4-[2-(4-aminophenyl)ethyl]aniline;2,5-dichlorobenzene-1,4-diamine (PubChem CID 159824858) has the molecular formula C20H22Cl2N4 and a molecular weight of 389.33 g/mol. Its IUPAC name is 4-[2-(4-aminophenyl)ethyl]aniline;2,5-dichlorobenzene-1,4-diamine.

Molecular Properties

Compound Name4-[2-(4-aminophenyl)ethyl]aniline;2,5-dichlorobenzene-1,4-diamine
PubChem CID159824858
Molecular FormulaC20H22Cl2N4
Molecular Weight389.33 g/mol
Exact Mass388.12
IUPAC Name4-[2-(4-aminophenyl)ethyl]aniline;2,5-dichlorobenzene-1,4-diamine
SMILESNc1cc(Cl)c(N)cc1Cl.Nc1ccc(CCc2ccc(N)cc2)cc1
InChIInChI=1S/C14H16N2.C6H6Cl2N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12;7-3-1-5(9)4(8)2-6(3)10/h3-10H,1-2,15-16H2;1-2H,9-10H2
InChIKeyNMRZPBFPRQTEDK-UHFFFAOYSA-N
XLogP4.79
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 54.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-(4-aminophenyl)ethyl]aniline;2,5-dichlorobenzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-aminoethyl)-2-chloroaniline
CID 18621974
4-(4-aminophenyl)-2,5-dichloroaniline
CID 154170226
4-[4-[2-[4-(4-aminophenoxy)-3-chlorophenyl]ethyl]-2-chlorophenoxy]aniline
CID 57316904
4-(3-chloropropyl)aniline
CID 11805171
4-[2-[4-[[4-[2-(4-aminophenyl)ethyl]phenyl]diazenyl]phenyl]ethyl]aniline
CID 134597339
bis(4-chlorobenzene-1,3-diamine);hydrate
CID 174419312
2-chloro-4-propylaniline
CID 19914844
2-(4-amino-3-chlorophenyl)ethanol
CID 54268347
4-[(2,5-dichlorophenyl)methyl]aniline
CID 21272493
5-[(4-aminophenyl)methyl]-2-methylbenzene-1,3-diamine
CID 3020827
4-[2-(4-pentylphenyl)ethyl]aniline
CID 130451163
4-[2-(3-chloro-4-fluorophenoxy)ethyl]aniline
CID 55258225

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminophenyl)ethyl]aniline;2,5-dichlorobenzene-1,4-diamine?
The IUPAC name of 4-[2-(4-aminophenyl)ethyl]aniline;2,5-dichlorobenzene-1,4-diamine (CID 159824858) is 4-[2-(4-aminophenyl)ethyl]aniline;2,5-dichlorobenzene-1,4-diamine.
What is the SMILES notation for 4-[2-(4-aminophenyl)ethyl]aniline;2,5-dichlorobenzene-1,4-diamine?
The canonical SMILES for 4-[2-(4-aminophenyl)ethyl]aniline;2,5-dichlorobenzene-1,4-diamine is Nc1cc(Cl)c(N)cc1Cl.Nc1ccc(CCc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[2-(4-aminophenyl)ethyl]aniline;2,5-dichlorobenzene-1,4-diamine?
The InChIKey is NMRZPBFPRQTEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2.C6H6Cl2N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12;7-3-1-5(9)4(8)2-6(3)10/h3-10H,1-2,15-16H2;1-2H,9-10H2.
What are the key properties of 4-[2-(4-aminophenyl)ethyl]aniline;2,5-dichlorobenzene-1,4-diamine?
4-[2-(4-aminophenyl)ethyl]aniline;2,5-dichlorobenzene-1,4-diamine has a molecular weight of 389.33 g/mol, XLogP of 4.79, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminophenyl)ethyl]aniline;2,5-dichlorobenzene-1,4-diamine is sourced from PubChem (CID 159824858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).