1-(2-chlorophenyl)-N,N-diethylethane-1,2-diamine

C12H19ClN2 — CID 3798106

IUPAC1-(2-chlorophenyl)-N,N-diethylethane-1,2-diamine
SMILESCCN(CC)C(CN)c1ccccc1Cl
InChIInChI=1S/C12H19ClN2/c1-3-15(4-2)12(9-14)10-7-5-6-8-11(10)13/h5-8,12H,3-4,9,14H2,1-2H3
InChIKeyHBCFIRRZLOLLOX-UHFFFAOYSA-N
MW226.75 g/mol
LogP2.68
Rot. Bonds5

About 1-(2-chlorophenyl)-N,N-diethylethane-1,2-diamine

1-(2-chlorophenyl)-N,N-diethylethane-1,2-diamine (PubChem CID 3798106) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N,N-diethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N,N-diethylethane-1,2-diamine
PubChem CID3798106
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name1-(2-chlorophenyl)-N,N-diethylethane-1,2-diamine
SMILESCCN(CC)C(CN)c1ccccc1Cl
InChIInChI=1S/C12H19ClN2/c1-3-15(4-2)12(9-14)10-7-5-6-8-11(10)13/h5-8,12H,3-4,9,14H2,1-2H3
InChIKeyHBCFIRRZLOLLOX-UHFFFAOYSA-N
XLogP2.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N,N-diethylethane-1,2-diamine?
The IUPAC name of 1-(2-chlorophenyl)-N,N-diethylethane-1,2-diamine (CID 3798106) is 1-(2-chlorophenyl)-N,N-diethylethane-1,2-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N,N-diethylethane-1,2-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-N,N-diethylethane-1,2-diamine is CCN(CC)C(CN)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N,N-diethylethane-1,2-diamine?
The InChIKey is HBCFIRRZLOLLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-3-15(4-2)12(9-14)10-7-5-6-8-11(10)13/h5-8,12H,3-4,9,14H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N,N-diethylethane-1,2-diamine?
1-(2-chlorophenyl)-N,N-diethylethane-1,2-diamine has a molecular weight of 226.75 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N,N-diethylethane-1,2-diamine is sourced from PubChem (CID 3798106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).