2-[(2,3-dichloroprop-2-enylamino)methyl]-2-ethylbutan-1-ol

C10H19Cl2NO — CID 106256045

IUPAC2-[(2,3-dichloroprop-2-enylamino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCC(Cl)=CCl
InChIInChI=1S/C10H19Cl2NO/c1-3-10(4-2,8-14)7-13-6-9(12)5-11/h5,13-14H,3-4,6-8H2,1-2H3
InChIKeyTYFZKFQOISVBOP-UHFFFAOYSA-N
MW240.17 g/mol
LogP2.69
Rot. Bonds7

About 2-[(2,3-dichloroprop-2-enylamino)methyl]-2-ethylbutan-1-ol

2-[(2,3-dichloroprop-2-enylamino)methyl]-2-ethylbutan-1-ol (PubChem CID 106256045) has the molecular formula C10H19Cl2NO and a molecular weight of 240.17 g/mol. Its IUPAC name is 2-[(2,3-dichloroprop-2-enylamino)methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(2,3-dichloroprop-2-enylamino)methyl]-2-ethylbutan-1-ol
PubChem CID106256045
Molecular FormulaC10H19Cl2NO
Molecular Weight240.17 g/mol
Exact Mass239.08
IUPAC Name2-[(2,3-dichloroprop-2-enylamino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCC(Cl)=CCl
InChIInChI=1S/C10H19Cl2NO/c1-3-10(4-2,8-14)7-13-6-9(12)5-11/h5,13-14H,3-4,6-8H2,1-2H3
InChIKeyTYFZKFQOISVBOP-UHFFFAOYSA-N
XLogP2.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichloroprop-2-enylamino)methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(2,3-dichloroprop-2-enylamino)methyl]-2-ethylbutan-1-ol (CID 106256045) is 2-[(2,3-dichloroprop-2-enylamino)methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(2,3-dichloroprop-2-enylamino)methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(2,3-dichloroprop-2-enylamino)methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNCC(Cl)=CCl.
What is the InChIKey of 2-[(2,3-dichloroprop-2-enylamino)methyl]-2-ethylbutan-1-ol?
The InChIKey is TYFZKFQOISVBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Cl2NO/c1-3-10(4-2,8-14)7-13-6-9(12)5-11/h5,13-14H,3-4,6-8H2,1-2H3.
What are the key properties of 2-[(2,3-dichloroprop-2-enylamino)methyl]-2-ethylbutan-1-ol?
2-[(2,3-dichloroprop-2-enylamino)methyl]-2-ethylbutan-1-ol has a molecular weight of 240.17 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichloroprop-2-enylamino)methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106256045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).