2,3-dichloro-N-[1-(oxolan-3-yl)ethyl]prop-2-en-1-amine

C9H15Cl2NO — CID 104876930

IUPAC2,3-dichloro-N-[1-(oxolan-3-yl)ethyl]prop-2-en-1-amine
SMILESCC(NCC(Cl)=CCl)C1CCOC1
InChIInChI=1S/C9H15Cl2NO/c1-7(8-2-3-13-6-8)12-5-9(11)4-10/h4,7-8,12H,2-3,5-6H2,1H3
InChIKeyRFKINXRKISXJBN-UHFFFAOYSA-N
MW224.13 g/mol
LogP2.32
Rot. Bonds4

About 2,3-dichloro-N-[1-(oxolan-3-yl)ethyl]prop-2-en-1-amine

2,3-dichloro-N-[1-(oxolan-3-yl)ethyl]prop-2-en-1-amine (PubChem CID 104876930) has the molecular formula C9H15Cl2NO and a molecular weight of 224.13 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-(oxolan-3-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2,3-dichloro-N-[1-(oxolan-3-yl)ethyl]prop-2-en-1-amine
PubChem CID104876930
Molecular FormulaC9H15Cl2NO
Molecular Weight224.13 g/mol
Exact Mass223.05
IUPAC Name2,3-dichloro-N-[1-(oxolan-3-yl)ethyl]prop-2-en-1-amine
SMILESCC(NCC(Cl)=CCl)C1CCOC1
InChIInChI=1S/C9H15Cl2NO/c1-7(8-2-3-13-6-8)12-5-9(11)4-10/h4,7-8,12H,2-3,5-6H2,1H3
InChIKeyRFKINXRKISXJBN-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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Related Compounds

2,3-dichloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine
CID 79167636
2,3-dichloro-N-(oxan-4-ylmethyl)prop-2-en-1-amine
CID 79167650
2,3-dichloro-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
CID 103914764
N-(2,3-dichloroprop-2-enyl)-4-methyloxan-4-amine
CID 104866606
(E)-3-chloro-N-[1-(oxolan-3-yl)ethyl]prop-2-en-1-amine
CID 104892139
(E)-3-chloro-N-[(2-methyloxolan-3-yl)methyl]prop-2-en-1-amine
CID 105736119
2,3-dichloro-N-[(2-methyloxolan-3-yl)methyl]prop-2-en-1-amine
CID 105736243
2-chloro-N-[(2-methyloxolan-3-yl)methyl]prop-2-en-1-amine
CID 105736376
2,3-dichloro-N-[(2-ethyloxolan-3-yl)methyl]prop-2-en-1-amine
CID 105737020
(E)-2,3-dichloro-N-[2-(oxolan-3-yl)ethyl]prop-2-en-1-amine
CID 105935085
3-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]prop-2-en-1-amine
CID 106438136
3-chloro-2-methyl-N-[(2-methyloxolan-3-yl)methyl]prop-2-en-1-amine
CID 106438245

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-(oxolan-3-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of 2,3-dichloro-N-[1-(oxolan-3-yl)ethyl]prop-2-en-1-amine (CID 104876930) is 2,3-dichloro-N-[1-(oxolan-3-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for 2,3-dichloro-N-[1-(oxolan-3-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for 2,3-dichloro-N-[1-(oxolan-3-yl)ethyl]prop-2-en-1-amine is CC(NCC(Cl)=CCl)C1CCOC1.
What is the InChIKey of 2,3-dichloro-N-[1-(oxolan-3-yl)ethyl]prop-2-en-1-amine?
The InChIKey is RFKINXRKISXJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2NO/c1-7(8-2-3-13-6-8)12-5-9(11)4-10/h4,7-8,12H,2-3,5-6H2,1H3.
What are the key properties of 2,3-dichloro-N-[1-(oxolan-3-yl)ethyl]prop-2-en-1-amine?
2,3-dichloro-N-[1-(oxolan-3-yl)ethyl]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-[1-(oxolan-3-yl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 104876930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).