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

C12H18Cl2N2O — CID 54806172

IUPACN'-(2,4-dichlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
SMILESCOCCCNCCNc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2O/c1-17-8-2-5-15-6-7-16-12-4-3-10(13)9-11(12)14/h3-4,9,15-16H,2,5-8H2,1H3
InChIKeyPQYGJICXHYUIGB-UHFFFAOYSA-N
MW277.19 g/mol
LogP3.03
Rot. Bonds8

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

N'-(2,4-dichlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine (PubChem CID 54806172) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is N'-(2,4-dichlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,4-dichlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
PubChem CID54806172
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC NameN'-(2,4-dichlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
SMILESCOCCCNCCNc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2O/c1-17-8-2-5-15-6-7-16-12-4-3-10(13)9-11(12)14/h3-4,9,15-16H,2,5-8H2,1H3
InChIKeyPQYGJICXHYUIGB-UHFFFAOYSA-N
XLogP3.03
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(4-chlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 54805618
N-(2,4-dichlorophenyl)-2-(3-methoxypropylamino)acetamide
CID 54828800
N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine
CID 113436854
N-(2,4-dichlorophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959789
2,5-dichloro-N-(2-methoxyethyl)aniline
CID 28568177
N-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54806248
5-chloro-2-fluoro-N-(4-methoxybutyl)aniline
CID 115735656
4-chloro-N-(3-methoxypropyl)-2-nitroaniline
CID 43089839
2,4-dichloro-N-decylaniline
CID 63489638
3-(2-bromo-4-chlorophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 2581979
2,4-dichloro-N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]aniline
CID 54795888
2-chloro-1-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride
CID 19807713

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dichlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,4-dichlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine (CID 54806172) is N'-(2,4-dichlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,4-dichlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,4-dichlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine is COCCCNCCNc1ccc(Cl)cc1Cl.
What is the InChIKey of N'-(2,4-dichlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine?
The InChIKey is PQYGJICXHYUIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O/c1-17-8-2-5-15-6-7-16-12-4-3-10(13)9-11(12)14/h3-4,9,15-16H,2,5-8H2,1H3.
What are the key properties of N'-(2,4-dichlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine?
N'-(2,4-dichlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine has a molecular weight of 277.19 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dichlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine is sourced from PubChem (CID 54806172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).