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

C13H17Cl2N — CID 79338600

IUPAC2-[(2,3-dichlorophenyl)methylidene]-N,3-dimethylbutan-1-amine
SMILESCNCC(=Cc1cccc(Cl)c1Cl)C(C)C
InChIInChI=1S/C13H17Cl2N/c1-9(2)11(8-16-3)7-10-5-4-6-12(14)13(10)15/h4-7,9,16H,8H2,1-3H3
InChIKeyQAORKPMQPOIDSZ-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.25
Rot. Bonds4

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

2-[(2,3-dichlorophenyl)methylidene]-N,3-dimethylbutan-1-amine (PubChem CID 79338600) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methylidene]-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methylidene]-N,3-dimethylbutan-1-amine
PubChem CID79338600
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name2-[(2,3-dichlorophenyl)methylidene]-N,3-dimethylbutan-1-amine
SMILESCNCC(=Cc1cccc(Cl)c1Cl)C(C)C
InChIInChI=1S/C13H17Cl2N/c1-9(2)11(8-16-3)7-10-5-4-6-12(14)13(10)15/h4-7,9,16H,8H2,1-3H3
InChIKeyQAORKPMQPOIDSZ-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.25
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
(E)-4-(2,3-dichlorophenyl)-3-methylbut-3-en-2-ol
CID 103091079
2-[(2,3-dichlorophenyl)methylidene]-N-ethylbutan-1-amine
CID 79330194
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
2-[(2,3-dichlorophenyl)methylidene]butan-1-ol
CID 79334969
(E)-3-(3-chloro-2-fluorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 114489363
2-[(2,4-difluorophenyl)methylidene]-N,3-dimethylbutan-1-amine
CID 79339685
1-(2,3-dichlorophenyl)-3-(methylamino)propan-2-ol
CID 82290486
(2E)-2-[(5-bromoquinolin-8-yl)methylidene]-N,3-dimethylbutan-1-amine
CID 112618749
(E)-4-(2,3-dichlorophenyl)-N-propylbut-3-en-2-amine
CID 103092632
2,3-dichlorobenzaldehyde;methanol
CID 162040206
(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,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(2,3-dichlorophenyl)methylidene]-N,3-dimethylbutan-1-amine (CID 79338600) is 2-[(2,3-dichlorophenyl)methylidene]-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methylidene]-N,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methylidene]-N,3-dimethylbutan-1-amine is CNCC(=Cc1cccc(Cl)c1Cl)C(C)C.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methylidene]-N,3-dimethylbutan-1-amine?
The InChIKey is QAORKPMQPOIDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c1-9(2)11(8-16-3)7-10-5-4-6-12(14)13(10)15/h4-7,9,16H,8H2,1-3H3.
What are the key properties of 2-[(2,3-dichlorophenyl)methylidene]-N,3-dimethylbutan-1-amine?
2-[(2,3-dichlorophenyl)methylidene]-N,3-dimethylbutan-1-amine has a molecular weight of 258.19 g/mol, XLogP of 4.25, 4 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,3-dimethylbutan-1-amine is sourced from PubChem (CID 79338600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).