2-[(2,3-dichlorophenyl)methylidene]-N-ethylbutan-1-amine

C13H17Cl2N — CID 79330194

IUPAC2-[(2,3-dichlorophenyl)methylidene]-N-ethylbutan-1-amine
SMILESCCNCC(=Cc1cccc(Cl)c1Cl)CC
InChIInChI=1S/C13H17Cl2N/c1-3-10(9-16-4-2)8-11-6-5-7-12(14)13(11)15/h5-8,16H,3-4,9H2,1-2H3
InChIKeyLFDPZBJHYYEJMJ-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.40
Rot. Bonds5

About 2-[(2,3-dichlorophenyl)methylidene]-N-ethylbutan-1-amine

2-[(2,3-dichlorophenyl)methylidene]-N-ethylbutan-1-amine (PubChem CID 79330194) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methylidene]-N-ethylbutan-1-amine.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methylidene]-N-ethylbutan-1-amine
PubChem CID79330194
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name2-[(2,3-dichlorophenyl)methylidene]-N-ethylbutan-1-amine
SMILESCCNCC(=Cc1cccc(Cl)c1Cl)CC
InChIInChI=1S/C13H17Cl2N/c1-3-10(9-16-4-2)8-11-6-5-7-12(14)13(11)15/h5-8,16H,3-4,9H2,1-2H3
InChIKeyLFDPZBJHYYEJMJ-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,3-dichlorophenyl)methylidene]-N-methylbutan-1-amine
CID 79328932
(2E)-2-[(3-chloro-2-fluorophenyl)methylidene]-N-ethylbutan-1-amine
CID 114489335
2-[(2,3-dichlorophenyl)methylidene]butan-1-ol
CID 79334969
2-[(2,3-dichlorophenyl)methylidene]-N,3-dimethylbutan-1-amine
CID 79338600
(2E)-2-[(3-chloro-4-fluorophenyl)methylidene]-N-ethylbutan-1-amine
CID 81155944
N-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide
CID 154646210
2,3-dichlorobenzaldehyde;methanol
CID 162040206
N-tert-butyl-2-[(2,6-dichlorophenyl)methylidene]butan-1-amine
CID 79329244
2-[(2-fluorophenyl)methylidene]-N-propylbutan-1-amine
CID 79329556
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
(E)-4-(2,3-dichlorophenyl)-3-methylbut-3-en-2-ol
CID 103091079
(1Z)-1-(2,3-dichlorophenyl)-3-methoxybuta-1,3-dien-2-amine
CID 170229352

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methylidene]-N-ethylbutan-1-amine?
The IUPAC name of 2-[(2,3-dichlorophenyl)methylidene]-N-ethylbutan-1-amine (CID 79330194) is 2-[(2,3-dichlorophenyl)methylidene]-N-ethylbutan-1-amine.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methylidene]-N-ethylbutan-1-amine?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methylidene]-N-ethylbutan-1-amine is CCNCC(=Cc1cccc(Cl)c1Cl)CC.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methylidene]-N-ethylbutan-1-amine?
The InChIKey is LFDPZBJHYYEJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c1-3-10(9-16-4-2)8-11-6-5-7-12(14)13(11)15/h5-8,16H,3-4,9H2,1-2H3.
What are the key properties of 2-[(2,3-dichlorophenyl)methylidene]-N-ethylbutan-1-amine?
2-[(2,3-dichlorophenyl)methylidene]-N-ethylbutan-1-amine has a molecular weight of 258.19 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)methylidene]-N-ethylbutan-1-amine is sourced from PubChem (CID 79330194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).