N'-(3,4-dichlorophenyl)-N-propylethane-1,2-diamine

C11H16Cl2N2 — CID 54805609

IUPACN'-(3,4-dichlorophenyl)-N-propylethane-1,2-diamine
SMILESCCCNCCNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H16Cl2N2/c1-2-5-14-6-7-15-9-3-4-10(12)11(13)8-9/h3-4,8,14-15H,2,5-7H2,1H3
InChIKeyIWECXXXJUJTGSE-UHFFFAOYSA-N
MW247.17 g/mol
LogP3.40
Rot. Bonds6

About N'-(3,4-dichlorophenyl)-N-propylethane-1,2-diamine

N'-(3,4-dichlorophenyl)-N-propylethane-1,2-diamine (PubChem CID 54805609) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is N'-(3,4-dichlorophenyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,4-dichlorophenyl)-N-propylethane-1,2-diamine
PubChem CID54805609
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC NameN'-(3,4-dichlorophenyl)-N-propylethane-1,2-diamine
SMILESCCCNCCNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H16Cl2N2/c1-2-5-14-6-7-15-9-3-4-10(12)11(13)8-9/h3-4,8,14-15H,2,5-7H2,1H3
InChIKeyIWECXXXJUJTGSE-UHFFFAOYSA-N
XLogP3.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 53.40
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

N'-(3,4-dichlorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54805653
3-(3,4-dichloroanilino)-N-propylpropanamide
CID 109011460
2-chloro-4-N-propylbenzene-1,4-diamine
CID 144516176
3,4-dichloro-N-(3-fluoropropyl)aniline
CID 81106053
N-propyl-N'-pyridin-4-ylethane-1,2-diamine
CID 62664105
N'-(3-chloro-4-methoxyphenyl)-N-heptylethane-1,2-diamine
CID 54806879
N'-(2-chlorophenyl)-N-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 54806440
N'-(3,4-dichlorophenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54805983
3,4-dichloro-N-(3-ethylsulfonylpropyl)aniline
CID 65093988
N'-(3,4-dichlorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 54805981
N'-(3-chloro-4-methoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808092
3-(3,4-dichloroanilino)-N,N-dipropylpropanamide
CID 109033088

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dichlorophenyl)-N-propylethane-1,2-diamine?
The IUPAC name of N'-(3,4-dichlorophenyl)-N-propylethane-1,2-diamine (CID 54805609) is N'-(3,4-dichlorophenyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-(3,4-dichlorophenyl)-N-propylethane-1,2-diamine?
The canonical SMILES for N'-(3,4-dichlorophenyl)-N-propylethane-1,2-diamine is CCCNCCNc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N'-(3,4-dichlorophenyl)-N-propylethane-1,2-diamine?
The InChIKey is IWECXXXJUJTGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2/c1-2-5-14-6-7-15-9-3-4-10(12)11(13)8-9/h3-4,8,14-15H,2,5-7H2,1H3.
What are the key properties of N'-(3,4-dichlorophenyl)-N-propylethane-1,2-diamine?
N'-(3,4-dichlorophenyl)-N-propylethane-1,2-diamine has a molecular weight of 247.17 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dichlorophenyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 54805609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).