[5-(4-chlorophenyl)oxolan-2-yl]methanamine

C11H14ClNO — CID 11506733

IUPAC[5-(4-chlorophenyl)oxolan-2-yl]methanamine
SMILESNCC1CCC(c2ccc(Cl)cc2)O1
InChIInChI=1S/C11H14ClNO/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-4,10-11H,5-7,13H2
InChIKeyKHKLNHSDQIKVSU-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.52
Rot. Bonds2

About [5-(4-chlorophenyl)oxolan-2-yl]methanamine

[5-(4-chlorophenyl)oxolan-2-yl]methanamine (PubChem CID 11506733) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is [5-(4-chlorophenyl)oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(4-chlorophenyl)oxolan-2-yl]methanamine
PubChem CID11506733
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name[5-(4-chlorophenyl)oxolan-2-yl]methanamine
SMILESNCC1CCC(c2ccc(Cl)cc2)O1
InChIInChI=1S/C11H14ClNO/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-4,10-11H,5-7,13H2
InChIKeyKHKLNHSDQIKVSU-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)oxolan-2-yl]methanamine?
The IUPAC name of [5-(4-chlorophenyl)oxolan-2-yl]methanamine (CID 11506733) is [5-(4-chlorophenyl)oxolan-2-yl]methanamine.
What is the SMILES notation for [5-(4-chlorophenyl)oxolan-2-yl]methanamine?
The canonical SMILES for [5-(4-chlorophenyl)oxolan-2-yl]methanamine is NCC1CCC(c2ccc(Cl)cc2)O1.
What is the InChIKey of [5-(4-chlorophenyl)oxolan-2-yl]methanamine?
The InChIKey is KHKLNHSDQIKVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-4,10-11H,5-7,13H2.
What are the key properties of [5-(4-chlorophenyl)oxolan-2-yl]methanamine?
[5-(4-chlorophenyl)oxolan-2-yl]methanamine has a molecular weight of 211.69 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)oxolan-2-yl]methanamine is sourced from PubChem (CID 11506733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).