N-(2-chloro-3-methoxypropyl)oxolan-3-amine

C8H16ClNO2 — CID 65024340

IUPACN-(2-chloro-3-methoxypropyl)oxolan-3-amine
SMILESCOCC(Cl)CNC1CCOC1
InChIInChI=1S/C8H16ClNO2/c1-11-5-7(9)4-10-8-2-3-12-6-8/h7-8,10H,2-6H2,1H3
InChIKeyRORADAUFSPRFGH-UHFFFAOYSA-N
MW193.67 g/mol
LogP0.62
Rot. Bonds5

About N-(2-chloro-3-methoxypropyl)oxolan-3-amine

N-(2-chloro-3-methoxypropyl)oxolan-3-amine (PubChem CID 65024340) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)oxolan-3-amine
PubChem CID65024340
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC NameN-(2-chloro-3-methoxypropyl)oxolan-3-amine
SMILESCOCC(Cl)CNC1CCOC1
InChIInChI=1S/C8H16ClNO2/c1-11-5-7(9)4-10-8-2-3-12-6-8/h7-8,10H,2-6H2,1H3
InChIKeyRORADAUFSPRFGH-UHFFFAOYSA-N
XLogP0.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)oxolan-3-amine?
The IUPAC name of N-(2-chloro-3-methoxypropyl)oxolan-3-amine (CID 65024340) is N-(2-chloro-3-methoxypropyl)oxolan-3-amine.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)oxolan-3-amine?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)oxolan-3-amine is COCC(Cl)CNC1CCOC1.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)oxolan-3-amine?
The InChIKey is RORADAUFSPRFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2/c1-11-5-7(9)4-10-8-2-3-12-6-8/h7-8,10H,2-6H2,1H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)oxolan-3-amine?
N-(2-chloro-3-methoxypropyl)oxolan-3-amine has a molecular weight of 193.67 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)oxolan-3-amine is sourced from PubChem (CID 65024340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).