3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyloxetan-3-amine

C14H20ClNO2 — CID 116872827

IUPAC3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyloxetan-3-amine
SMILESCNC1(c2c(C)c(Cl)c(C)c(C)c2OC)COC1
InChIInChI=1S/C14H20ClNO2/c1-8-9(2)13(17-5)11(10(3)12(8)15)14(16-4)6-18-7-14/h16H,6-7H2,1-5H3
InChIKeyTVQKDRFNXIAXPC-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.72
Rot. Bonds3

About 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyloxetan-3-amine

3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyloxetan-3-amine (PubChem CID 116872827) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyloxetan-3-amine.

Molecular Properties

Compound Name3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyloxetan-3-amine
PubChem CID116872827
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyloxetan-3-amine
SMILESCNC1(c2c(C)c(Cl)c(C)c(C)c2OC)COC1
InChIInChI=1S/C14H20ClNO2/c1-8-9(2)13(17-5)11(10(3)12(8)15)14(16-4)6-18-7-14/h16H,6-7H2,1-5H3
InChIKeyTVQKDRFNXIAXPC-UHFFFAOYSA-N
XLogP2.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyloxetan-3-amine?
The IUPAC name of 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyloxetan-3-amine (CID 116872827) is 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyloxetan-3-amine.
What is the SMILES notation for 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyloxetan-3-amine?
The canonical SMILES for 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyloxetan-3-amine is CNC1(c2c(C)c(Cl)c(C)c(C)c2OC)COC1.
What is the InChIKey of 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyloxetan-3-amine?
The InChIKey is TVQKDRFNXIAXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-8-9(2)13(17-5)11(10(3)12(8)15)14(16-4)6-18-7-14/h16H,6-7H2,1-5H3.
What are the key properties of 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyloxetan-3-amine?
3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyloxetan-3-amine has a molecular weight of 269.77 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyloxetan-3-amine is sourced from PubChem (CID 116872827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).