acetaldehyde;N-[(2,3-dichlorophenyl)methyl]-N-methylcyclopropanamine;ethane

C15H23Cl2NO — CID 143260168

IUPACacetaldehyde;N-[(2,3-dichlorophenyl)methyl]-N-methylcyclopropanamine;ethane
SMILESCC.CC=O.CN(Cc1cccc(Cl)c1Cl)C1CC1
InChIInChI=1S/C11H13Cl2N.C2H4O.C2H6/c1-14(9-5-6-9)7-8-3-2-4-10(12)11(8)13;1-2-3;1-2/h2-4,9H,5-7H2,1H3;2H,1H3;1-2H3
InChIKeyNHEODLLMPFGNJJ-UHFFFAOYSA-N
MW304.26 g/mol
LogP4.82
Rot. Bonds3

About acetaldehyde;N-[(2,3-dichlorophenyl)methyl]-N-methylcyclopropanamine;ethane

acetaldehyde;N-[(2,3-dichlorophenyl)methyl]-N-methylcyclopropanamine;ethane (PubChem CID 143260168) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is acetaldehyde;N-[(2,3-dichlorophenyl)methyl]-N-methylcyclopropanamine;ethane.

Molecular Properties

Compound Nameacetaldehyde;N-[(2,3-dichlorophenyl)methyl]-N-methylcyclopropanamine;ethane
PubChem CID143260168
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Nameacetaldehyde;N-[(2,3-dichlorophenyl)methyl]-N-methylcyclopropanamine;ethane
SMILESCC.CC=O.CN(Cc1cccc(Cl)c1Cl)C1CC1
InChIInChI=1S/C11H13Cl2N.C2H4O.C2H6/c1-14(9-5-6-9)7-8-3-2-4-10(12)11(8)13;1-2-3;1-2/h2-4,9H,5-7H2,1H3;2H,1H3;1-2H3
InChIKeyNHEODLLMPFGNJJ-UHFFFAOYSA-N
XLogP4.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-[(2,3-dichlorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79122016
N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]propanamide
CID 69301683
N-[(2,3-dichlorophenyl)methyl-methylsulfamoyl]-N-methylcyclohexanamine
CID 55565324
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
4-chloro-3-[[cyclopropyl(methyl)amino]methyl]aniline
CID 43264518
N-(2-bromoethyl)-N-[(2,3-dichlorophenyl)methyl]cyclopentanamine
CID 107310031
2-[cyclopropyl(methyl)amino]-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]ethanone
CID 86905781
2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol
CID 118815979
N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide
CID 11587945
3-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-1-methylthiourea
CID 8785757
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888
N'-benzyl-N'-[(2,3-dichlorophenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 20628585

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;N-[(2,3-dichlorophenyl)methyl]-N-methylcyclopropanamine;ethane?
The IUPAC name of acetaldehyde;N-[(2,3-dichlorophenyl)methyl]-N-methylcyclopropanamine;ethane (CID 143260168) is acetaldehyde;N-[(2,3-dichlorophenyl)methyl]-N-methylcyclopropanamine;ethane.
What is the SMILES notation for acetaldehyde;N-[(2,3-dichlorophenyl)methyl]-N-methylcyclopropanamine;ethane?
The canonical SMILES for acetaldehyde;N-[(2,3-dichlorophenyl)methyl]-N-methylcyclopropanamine;ethane is CC.CC=O.CN(Cc1cccc(Cl)c1Cl)C1CC1.
What is the InChIKey of acetaldehyde;N-[(2,3-dichlorophenyl)methyl]-N-methylcyclopropanamine;ethane?
The InChIKey is NHEODLLMPFGNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N.C2H4O.C2H6/c1-14(9-5-6-9)7-8-3-2-4-10(12)11(8)13;1-2-3;1-2/h2-4,9H,5-7H2,1H3;2H,1H3;1-2H3.
What are the key properties of acetaldehyde;N-[(2,3-dichlorophenyl)methyl]-N-methylcyclopropanamine;ethane?
acetaldehyde;N-[(2,3-dichlorophenyl)methyl]-N-methylcyclopropanamine;ethane has a molecular weight of 304.26 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;N-[(2,3-dichlorophenyl)methyl]-N-methylcyclopropanamine;ethane is sourced from PubChem (CID 143260168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).