3-chloro-6-methoxy-N,2,4-trimethylaniline

C10H14ClNO — CID 82265372

IUPAC3-chloro-6-methoxy-N,2,4-trimethylaniline
SMILESCNc1c(OC)cc(C)c(Cl)c1C
InChIInChI=1S/C10H14ClNO/c1-6-5-8(13-4)10(12-3)7(2)9(6)11/h5,12H,1-4H3
InChIKeyKHYHBOHHINKNEF-UHFFFAOYSA-N
MW199.68 g/mol
LogP3.01
Rot. Bonds2

About 3-chloro-6-methoxy-N,2,4-trimethylaniline

3-chloro-6-methoxy-N,2,4-trimethylaniline (PubChem CID 82265372) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 3-chloro-6-methoxy-N,2,4-trimethylaniline.

Molecular Properties

Compound Name3-chloro-6-methoxy-N,2,4-trimethylaniline
PubChem CID82265372
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name3-chloro-6-methoxy-N,2,4-trimethylaniline
SMILESCNc1c(OC)cc(C)c(Cl)c1C
InChIInChI=1S/C10H14ClNO/c1-6-5-8(13-4)10(12-3)7(2)9(6)11/h5,12H,1-4H3
InChIKeyKHYHBOHHINKNEF-UHFFFAOYSA-N
XLogP3.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methoxy-N,2,4-trimethylaniline?
The IUPAC name of 3-chloro-6-methoxy-N,2,4-trimethylaniline (CID 82265372) is 3-chloro-6-methoxy-N,2,4-trimethylaniline.
What is the SMILES notation for 3-chloro-6-methoxy-N,2,4-trimethylaniline?
The canonical SMILES for 3-chloro-6-methoxy-N,2,4-trimethylaniline is CNc1c(OC)cc(C)c(Cl)c1C.
What is the InChIKey of 3-chloro-6-methoxy-N,2,4-trimethylaniline?
The InChIKey is KHYHBOHHINKNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-6-5-8(13-4)10(12-3)7(2)9(6)11/h5,12H,1-4H3.
What are the key properties of 3-chloro-6-methoxy-N,2,4-trimethylaniline?
3-chloro-6-methoxy-N,2,4-trimethylaniline has a molecular weight of 199.68 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methoxy-N,2,4-trimethylaniline is sourced from PubChem (CID 82265372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).