2-[2-aminoethyl-[(2,6-dichlorophenyl)methyl]amino]acetaldehyde;2-chloro-N,6-dimethylaniline

C19H24Cl3N3O — CID 142270450

IUPAC2-[2-aminoethyl-[(2,6-dichlorophenyl)methyl]amino]acetaldehyde;2-chloro-N,6-dimethylaniline
SMILESCNc1c(C)cccc1Cl.NCCN(CC=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H14Cl2N2O.C8H10ClN/c12-10-2-1-3-11(13)9(10)8-15(5-4-14)6-7-16;1-6-4-3-5-7(9)8(6)10-2/h1-3,7H,4-6,8,14H2;3-5,10H,1-2H3
InChIKeyKDMHWPUYNHJPMS-UHFFFAOYSA-N
MW416.78 g/mol
LogP4.64
Rot. Bonds7

About 2-[2-aminoethyl-[(2,6-dichlorophenyl)methyl]amino]acetaldehyde;2-chloro-N,6-dimethylaniline

2-[2-aminoethyl-[(2,6-dichlorophenyl)methyl]amino]acetaldehyde;2-chloro-N,6-dimethylaniline (PubChem CID 142270450) has the molecular formula C19H24Cl3N3O and a molecular weight of 416.78 g/mol. Its IUPAC name is 2-[2-aminoethyl-[(2,6-dichlorophenyl)methyl]amino]acetaldehyde;2-chloro-N,6-dimethylaniline.

Molecular Properties

Compound Name2-[2-aminoethyl-[(2,6-dichlorophenyl)methyl]amino]acetaldehyde;2-chloro-N,6-dimethylaniline
PubChem CID142270450
Molecular FormulaC19H24Cl3N3O
Molecular Weight416.78 g/mol
Exact Mass415.10
IUPAC Name2-[2-aminoethyl-[(2,6-dichlorophenyl)methyl]amino]acetaldehyde;2-chloro-N,6-dimethylaniline
SMILESCNc1c(C)cccc1Cl.NCCN(CC=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H14Cl2N2O.C8H10ClN/c12-10-2-1-3-11(13)9(10)8-15(5-4-14)6-7-16;1-6-4-3-5-7(9)8(6)10-2/h1-3,7H,4-6,8,14H2;3-5,10H,1-2H3
InChIKeyKDMHWPUYNHJPMS-UHFFFAOYSA-N
XLogP4.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.78
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl-[(2,6-dichlorophenyl)methyl]amino]acetaldehyde;2-chloro-N,6-dimethylaniline?
The IUPAC name of 2-[2-aminoethyl-[(2,6-dichlorophenyl)methyl]amino]acetaldehyde;2-chloro-N,6-dimethylaniline (CID 142270450) is 2-[2-aminoethyl-[(2,6-dichlorophenyl)methyl]amino]acetaldehyde;2-chloro-N,6-dimethylaniline.
What is the SMILES notation for 2-[2-aminoethyl-[(2,6-dichlorophenyl)methyl]amino]acetaldehyde;2-chloro-N,6-dimethylaniline?
The canonical SMILES for 2-[2-aminoethyl-[(2,6-dichlorophenyl)methyl]amino]acetaldehyde;2-chloro-N,6-dimethylaniline is CNc1c(C)cccc1Cl.NCCN(CC=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-aminoethyl-[(2,6-dichlorophenyl)methyl]amino]acetaldehyde;2-chloro-N,6-dimethylaniline?
The InChIKey is KDMHWPUYNHJPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O.C8H10ClN/c12-10-2-1-3-11(13)9(10)8-15(5-4-14)6-7-16;1-6-4-3-5-7(9)8(6)10-2/h1-3,7H,4-6,8,14H2;3-5,10H,1-2H3.
What are the key properties of 2-[2-aminoethyl-[(2,6-dichlorophenyl)methyl]amino]acetaldehyde;2-chloro-N,6-dimethylaniline?
2-[2-aminoethyl-[(2,6-dichlorophenyl)methyl]amino]acetaldehyde;2-chloro-N,6-dimethylaniline has a molecular weight of 416.78 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl-[(2,6-dichlorophenyl)methyl]amino]acetaldehyde;2-chloro-N,6-dimethylaniline is sourced from PubChem (CID 142270450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).