N'-[(2,3-dichlorophenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine

C12H18Cl2N2 — CID 2843135

IUPACN'-[(2,3-dichlorophenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H18Cl2N2/c1-15(2)7-8-16(3)9-10-5-4-6-11(13)12(10)14/h4-6H,7-9H2,1-3H3
InChIKeyYWWQGODSAXXIFY-UHFFFAOYSA-N
MW261.20 g/mol
LogP2.99
Rot. Bonds5

About N'-[(2,3-dichlorophenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[(2,3-dichlorophenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 2843135) has the molecular formula C12H18Cl2N2 and a molecular weight of 261.20 g/mol. Its IUPAC name is N'-[(2,3-dichlorophenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2,3-dichlorophenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID2843135
Molecular FormulaC12H18Cl2N2
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC NameN'-[(2,3-dichlorophenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H18Cl2N2/c1-15(2)7-8-16(3)9-10-5-4-6-11(13)12(10)14/h4-6H,7-9H2,1-3H3
InChIKeyYWWQGODSAXXIFY-UHFFFAOYSA-N
XLogP2.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-[(2,3-dichlorophenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[(2,3-dichlorophenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine (CID 2843135) is N'-[(2,3-dichlorophenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(2,3-dichlorophenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[(2,3-dichlorophenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)Cc1cccc(Cl)c1Cl.
What is the InChIKey of N'-[(2,3-dichlorophenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is YWWQGODSAXXIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2/c1-15(2)7-8-16(3)9-10-5-4-6-11(13)12(10)14/h4-6H,7-9H2,1-3H3.
What are the key properties of N'-[(2,3-dichlorophenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[(2,3-dichlorophenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 261.20 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,3-dichlorophenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 2843135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).