N-(2,3-dichlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine

C17H20Cl2N2 — CID 54809490

IUPACN-(2,3-dichlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
SMILESCCC(NCCNc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C17H20Cl2N2/c1-2-15(13-7-4-3-5-8-13)20-11-12-21-16-10-6-9-14(18)17(16)19/h3-10,15,20-21H,2,11-12H2,1H3
InChIKeyRSAXALRVJORQAZ-UHFFFAOYSA-N
MW323.27 g/mol
LogP5.15
Rot. Bonds7

About N-(2,3-dichlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine

N-(2,3-dichlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine (PubChem CID 54809490) has the molecular formula C17H20Cl2N2 and a molecular weight of 323.27 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
PubChem CID54809490
Molecular FormulaC17H20Cl2N2
Molecular Weight323.27 g/mol
Exact Mass322.10
IUPAC NameN-(2,3-dichlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
SMILESCCC(NCCNc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C17H20Cl2N2/c1-2-15(13-7-4-3-5-8-13)20-11-12-21-16-10-6-9-14(18)17(16)19/h3-10,15,20-21H,2,11-12H2,1H3
InChIKeyRSAXALRVJORQAZ-UHFFFAOYSA-N
XLogP5.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.27
LogP ≤ 55.15
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

2-(2,3-dichloroanilino)-N-(1-phenylpropyl)acetamide
CID 54815882
N-(3-chlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54806636
2-chloro-N-(1-phenylpropyl)aniline
CID 43105652
N-(2,4-dimethylphenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54805959
N-[1-(4-bromophenyl)propyl]-2,3-dichloroaniline
CID 43102521
1-(2,3-dichlorophenyl)-N-propylpropan-1-amine
CID 62790875
N'-(1-phenylpropyl)propane-1,3-diamine
CID 60889497
N'-(1-phenylpropyl)-N-propylethane-1,2-diamine
CID 54810053
N-(2,3-dichlorophenyl)-N'-(2,5-dichlorophenyl)ethane-1,2-diamine
CID 54809670
N-(2,3-dichlorophenyl)-N'-(2,4-dichlorophenyl)ethane-1,2-diamine
CID 54806246
N-(1-phenylpropyl)but-3-yn-1-amine
CID 63654885
2,3-dichloro-N-(3-fluoropropyl)aniline
CID 81106558

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine?
The IUPAC name of N-(2,3-dichlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine (CID 54809490) is N-(2,3-dichlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2,3-dichlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-(2,3-dichlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine is CCC(NCCNc1cccc(Cl)c1Cl)c1ccccc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine?
The InChIKey is RSAXALRVJORQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2/c1-2-15(13-7-4-3-5-8-13)20-11-12-21-16-10-6-9-14(18)17(16)19/h3-10,15,20-21H,2,11-12H2,1H3.
What are the key properties of N-(2,3-dichlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine?
N-(2,3-dichlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine has a molecular weight of 323.27 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 54809490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).