3-[(4-chlorophenyl)methyl]oxolan-3-amine

C11H14ClNO — CID 65019655

IUPAC3-[(4-chlorophenyl)methyl]oxolan-3-amine
SMILESNC1(Cc2ccc(Cl)cc2)CCOC1
InChIInChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)7-11(13)5-6-14-8-11/h1-4H,5-8,13H2
InChIKeyINLOPVUYKOQZNM-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.00
Rot. Bonds2

About 3-[(4-chlorophenyl)methyl]oxolan-3-amine

3-[(4-chlorophenyl)methyl]oxolan-3-amine (PubChem CID 65019655) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]oxolan-3-amine
PubChem CID65019655
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name3-[(4-chlorophenyl)methyl]oxolan-3-amine
SMILESNC1(Cc2ccc(Cl)cc2)CCOC1
InChIInChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)7-11(13)5-6-14-8-11/h1-4H,5-8,13H2
InChIKeyINLOPVUYKOQZNM-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]oxolan-3-amine?
The IUPAC name of 3-[(4-chlorophenyl)methyl]oxolan-3-amine (CID 65019655) is 3-[(4-chlorophenyl)methyl]oxolan-3-amine.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]oxolan-3-amine?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]oxolan-3-amine is NC1(Cc2ccc(Cl)cc2)CCOC1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]oxolan-3-amine?
The InChIKey is INLOPVUYKOQZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)7-11(13)5-6-14-8-11/h1-4H,5-8,13H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]oxolan-3-amine?
3-[(4-chlorophenyl)methyl]oxolan-3-amine has a molecular weight of 211.69 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]oxolan-3-amine is sourced from PubChem (CID 65019655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).