2-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine

C12H16ClNO2 — CID 63558015

IUPAC2-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine
SMILESNCC(OC1CCOC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c13-10-3-1-9(2-4-10)12(7-14)16-11-5-6-15-8-11/h1-4,11-12H,5-8,14H2
InChIKeyWOTPTXXSGJENSO-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.15
Rot. Bonds4

About 2-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine

2-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine (PubChem CID 63558015) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine
PubChem CID63558015
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine
SMILESNCC(OC1CCOC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c13-10-3-1-9(2-4-10)12(7-14)16-11-5-6-15-8-11/h1-4,11-12H,5-8,14H2
InChIKeyWOTPTXXSGJENSO-UHFFFAOYSA-N
XLogP2.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine (CID 63558015) is 2-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine is NCC(OC1CCOC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine?
The InChIKey is WOTPTXXSGJENSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c13-10-3-1-9(2-4-10)12(7-14)16-11-5-6-15-8-11/h1-4,11-12H,5-8,14H2.
What are the key properties of 2-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine?
2-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine has a molecular weight of 241.72 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine is sourced from PubChem (CID 63558015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).