1-[2-chloro-6-(oxolan-3-yloxy)phenyl]-N-methylmethanamine

C12H16ClNO2 — CID 114318629

IUPAC1-[2-chloro-6-(oxolan-3-yloxy)phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1OC1CCOC1
InChIInChI=1S/C12H16ClNO2/c1-14-7-10-11(13)3-2-4-12(10)16-9-5-6-15-8-9/h2-4,9,14H,5-8H2,1H3
InChIKeyITCJNPTYVRHKRN-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.23
Rot. Bonds4

About 1-[2-chloro-6-(oxolan-3-yloxy)phenyl]-N-methylmethanamine

1-[2-chloro-6-(oxolan-3-yloxy)phenyl]-N-methylmethanamine (PubChem CID 114318629) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-[2-chloro-6-(oxolan-3-yloxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-chloro-6-(oxolan-3-yloxy)phenyl]-N-methylmethanamine
PubChem CID114318629
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name1-[2-chloro-6-(oxolan-3-yloxy)phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1OC1CCOC1
InChIInChI=1S/C12H16ClNO2/c1-14-7-10-11(13)3-2-4-12(10)16-9-5-6-15-8-9/h2-4,9,14H,5-8H2,1H3
InChIKeyITCJNPTYVRHKRN-UHFFFAOYSA-N
XLogP2.23
TPSA30.49 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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(oxolan-3-yloxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-chloro-6-(oxolan-3-yloxy)phenyl]-N-methylmethanamine (CID 114318629) is 1-[2-chloro-6-(oxolan-3-yloxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-chloro-6-(oxolan-3-yloxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-chloro-6-(oxolan-3-yloxy)phenyl]-N-methylmethanamine is CNCc1c(Cl)cccc1OC1CCOC1.
What is the InChIKey of 1-[2-chloro-6-(oxolan-3-yloxy)phenyl]-N-methylmethanamine?
The InChIKey is ITCJNPTYVRHKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-14-7-10-11(13)3-2-4-12(10)16-9-5-6-15-8-9/h2-4,9,14H,5-8H2,1H3.
What are the key properties of 1-[2-chloro-6-(oxolan-3-yloxy)phenyl]-N-methylmethanamine?
1-[2-chloro-6-(oxolan-3-yloxy)phenyl]-N-methylmethanamine has a molecular weight of 241.72 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(oxolan-3-yloxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 114318629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).