2-(3-chlorophenyl)oxolan-3-amine

C10H12ClNO — CID 79364588

IUPAC2-(3-chlorophenyl)oxolan-3-amine
SMILESNC1CCOC1c1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO/c11-8-3-1-2-7(6-8)10-9(12)4-5-13-10/h1-3,6,9-10H,4-5,12H2
InChIKeyAPLFKHXLAJUMOS-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.13
Rot. Bonds1

About 2-(3-chlorophenyl)oxolan-3-amine

2-(3-chlorophenyl)oxolan-3-amine (PubChem CID 79364588) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 2-(3-chlorophenyl)oxolan-3-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)oxolan-3-amine
PubChem CID79364588
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name2-(3-chlorophenyl)oxolan-3-amine
SMILESNC1CCOC1c1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO/c11-8-3-1-2-7(6-8)10-9(12)4-5-13-10/h1-3,6,9-10H,4-5,12H2
InChIKeyAPLFKHXLAJUMOS-UHFFFAOYSA-N
XLogP2.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)oxolan-3-amine?
The IUPAC name of 2-(3-chlorophenyl)oxolan-3-amine (CID 79364588) is 2-(3-chlorophenyl)oxolan-3-amine.
What is the SMILES notation for 2-(3-chlorophenyl)oxolan-3-amine?
The canonical SMILES for 2-(3-chlorophenyl)oxolan-3-amine is NC1CCOC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)oxolan-3-amine?
The InChIKey is APLFKHXLAJUMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c11-8-3-1-2-7(6-8)10-9(12)4-5-13-10/h1-3,6,9-10H,4-5,12H2.
What are the key properties of 2-(3-chlorophenyl)oxolan-3-amine?
2-(3-chlorophenyl)oxolan-3-amine has a molecular weight of 197.67 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)oxolan-3-amine is sourced from PubChem (CID 79364588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).