[5-(chloromethyl)-2,3-dihydrofuran-2-yl]methanamine

C6H10ClNO — CID 123764407

IUPAC[5-(chloromethyl)-2,3-dihydrofuran-2-yl]methanamine
SMILESNCC1CC=C(CCl)O1
InChIInChI=1S/C6H10ClNO/c7-3-5-1-2-6(4-8)9-5/h1,6H,2-4,8H2
InChIKeyPZQAIYJZLCRRCB-UHFFFAOYSA-N
MW147.60 g/mol
LogP0.86
Rot. Bonds2

About [5-(chloromethyl)-2,3-dihydrofuran-2-yl]methanamine

[5-(chloromethyl)-2,3-dihydrofuran-2-yl]methanamine (PubChem CID 123764407) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is [5-(chloromethyl)-2,3-dihydrofuran-2-yl]methanamine.

Molecular Properties

Compound Name[5-(chloromethyl)-2,3-dihydrofuran-2-yl]methanamine
PubChem CID123764407
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC Name[5-(chloromethyl)-2,3-dihydrofuran-2-yl]methanamine
SMILESNCC1CC=C(CCl)O1
InChIInChI=1S/C6H10ClNO/c7-3-5-1-2-6(4-8)9-5/h1,6H,2-4,8H2
InChIKeyPZQAIYJZLCRRCB-UHFFFAOYSA-N
XLogP0.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 [5-(chloromethyl)-2,3-dihydrofuran-2-yl]methanamine?
The IUPAC name of [5-(chloromethyl)-2,3-dihydrofuran-2-yl]methanamine (CID 123764407) is [5-(chloromethyl)-2,3-dihydrofuran-2-yl]methanamine.
What is the SMILES notation for [5-(chloromethyl)-2,3-dihydrofuran-2-yl]methanamine?
The canonical SMILES for [5-(chloromethyl)-2,3-dihydrofuran-2-yl]methanamine is NCC1CC=C(CCl)O1.
What is the InChIKey of [5-(chloromethyl)-2,3-dihydrofuran-2-yl]methanamine?
The InChIKey is PZQAIYJZLCRRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO/c7-3-5-1-2-6(4-8)9-5/h1,6H,2-4,8H2.
What are the key properties of [5-(chloromethyl)-2,3-dihydrofuran-2-yl]methanamine?
[5-(chloromethyl)-2,3-dihydrofuran-2-yl]methanamine has a molecular weight of 147.60 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(chloromethyl)-2,3-dihydrofuran-2-yl]methanamine is sourced from PubChem (CID 123764407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).