2,3-dichloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine

C9H15Cl2NO — CID 79167650

IUPAC2,3-dichloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine
SMILESClC=C(Cl)CNCC1CCOCC1
InChIInChI=1S/C9H15Cl2NO/c10-5-9(11)7-12-6-8-1-3-13-4-2-8/h5,8,12H,1-4,6-7H2
InChIKeyYOLXFBBEHHUYAU-UHFFFAOYSA-N
MW224.13 g/mol
LogP2.32
Rot. Bonds4

About 2,3-dichloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine

2,3-dichloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine (PubChem CID 79167650) has the molecular formula C9H15Cl2NO and a molecular weight of 224.13 g/mol. Its IUPAC name is 2,3-dichloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2,3-dichloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine
PubChem CID79167650
Molecular FormulaC9H15Cl2NO
Molecular Weight224.13 g/mol
Exact Mass223.05
IUPAC Name2,3-dichloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine
SMILESClC=C(Cl)CNCC1CCOCC1
InChIInChI=1S/C9H15Cl2NO/c10-5-9(11)7-12-6-8-1-3-13-4-2-8/h5,8,12H,1-4,6-7H2
InChIKeyYOLXFBBEHHUYAU-UHFFFAOYSA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine?
The IUPAC name of 2,3-dichloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine (CID 79167650) is 2,3-dichloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 2,3-dichloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for 2,3-dichloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine is ClC=C(Cl)CNCC1CCOCC1.
What is the InChIKey of 2,3-dichloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine?
The InChIKey is YOLXFBBEHHUYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2NO/c10-5-9(11)7-12-6-8-1-3-13-4-2-8/h5,8,12H,1-4,6-7H2.
What are the key properties of 2,3-dichloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine?
2,3-dichloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine has a molecular weight of 224.13 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 79167650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).