N-[2-(2,5-dichlorophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine

C13H20Cl2N2 — CID 113405304

IUPACN-[2-(2,5-dichlorophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNCCc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H20Cl2N2/c1-10(2)17-8-7-16-6-5-11-9-12(14)3-4-13(11)15/h3-4,9-10,16-17H,5-8H2,1-2H3
InChIKeyMDHQNCDSAIBCDA-UHFFFAOYSA-N
MW275.22 g/mol
LogP3.12
Rot. Bonds7

About N-[2-(2,5-dichlorophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine

N-[2-(2,5-dichlorophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine (PubChem CID 113405304) has the molecular formula C13H20Cl2N2 and a molecular weight of 275.22 g/mol. Its IUPAC name is N-[2-(2,5-dichlorophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(2,5-dichlorophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
PubChem CID113405304
Molecular FormulaC13H20Cl2N2
Molecular Weight275.22 g/mol
Exact Mass274.10
IUPAC NameN-[2-(2,5-dichlorophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNCCc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H20Cl2N2/c1-10(2)17-8-7-16-6-5-11-9-12(14)3-4-13(11)15/h3-4,9-10,16-17H,5-8H2,1-2H3
InChIKeyMDHQNCDSAIBCDA-UHFFFAOYSA-N
XLogP3.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 53.12
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-[2-(5-chloro-2-fluorophenyl)ethyl]propan-2-amine
CID 82471422
N-[3-(2,5-dichlorophenyl)propyl]-2-methylpropan-1-amine
CID 64504930
5-(2,5-dichlorophenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 65303779
(2S)-4-(2,5-dichlorophenyl)butan-2-amine
CID 95375914
N-[2-(2-bromophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206611
4-(2-chloro-5-fluorophenyl)-N-propan-2-ylbutan-1-amine
CID 102620448
N-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54806248
1,4-dichloro-2-(4-chloropentyl)benzene
CID 65316185
4-(2,5-dichlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65302872
3-(2,5-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830945
1-chloro-N-[(2,5-dichlorophenyl)methyl]-3-methylbutan-2-amine
CID 79244144
N-[2-(2,5-dichlorophenyl)ethyl]aniline
CID 63952494

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichlorophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-[2-(2,5-dichlorophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine (CID 113405304) is N-[2-(2,5-dichlorophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-[2-(2,5-dichlorophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-[2-(2,5-dichlorophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine is CC(C)NCCNCCc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[2-(2,5-dichlorophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is MDHQNCDSAIBCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2/c1-10(2)17-8-7-16-6-5-11-9-12(14)3-4-13(11)15/h3-4,9-10,16-17H,5-8H2,1-2H3.
What are the key properties of N-[2-(2,5-dichlorophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine?
N-[2-(2,5-dichlorophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 275.22 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichlorophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 113405304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).