5-chloro-2-methoxy-N-(methoxymethyl)-3,4,6-trimethylaniline

C12H18ClNO2 — CID 115258296

IUPAC5-chloro-2-methoxy-N-(methoxymethyl)-3,4,6-trimethylaniline
SMILESCOCNc1c(C)c(Cl)c(C)c(C)c1OC
InChIInChI=1S/C12H18ClNO2/c1-7-8(2)12(16-5)11(14-6-15-4)9(3)10(7)13/h14H,6H2,1-5H3
InChIKeyVPNPCYFJCLTECZ-UHFFFAOYSA-N
MW243.73 g/mol
LogP3.29
Rot. Bonds4

About 5-chloro-2-methoxy-N-(methoxymethyl)-3,4,6-trimethylaniline

5-chloro-2-methoxy-N-(methoxymethyl)-3,4,6-trimethylaniline (PubChem CID 115258296) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(methoxymethyl)-3,4,6-trimethylaniline.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(methoxymethyl)-3,4,6-trimethylaniline
PubChem CID115258296
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name5-chloro-2-methoxy-N-(methoxymethyl)-3,4,6-trimethylaniline
SMILESCOCNc1c(C)c(Cl)c(C)c(C)c1OC
InChIInChI=1S/C12H18ClNO2/c1-7-8(2)12(16-5)11(14-6-15-4)9(3)10(7)13/h14H,6H2,1-5H3
InChIKeyVPNPCYFJCLTECZ-UHFFFAOYSA-N
XLogP3.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-chloro-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 42625343
6-chloro-5,7,8-trimethyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine
CID 42625345
3-Chloro-2,4,5-trimethyl-6-(trifluoromethoxy)aniline
CID 54008381
6-chloro-2,2,5,7,8-pentamethyl-4H-1,4-benzoxazin-3-one
CID 42625263
6-chloro-5,7,8-trimethyl-4H-1,4-benzoxazin-3-one
CID 42625604
5-chloro-2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine
CID 15269222
2-methoxy-N,3,4,5,6-pentamethylaniline
CID 21339609
6-Chloro-2,2,5,7,8-pentamethyl-3,4-dihydro-1,4-benzoxazine
CID 42625680
(2R)-6-chloro-5,7,8-trimethyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazine
CID 42625761
3-chloro-6-methoxy-N,2,4-trimethylaniline
CID 82265372
5-chloro-2-methoxy-N,3,6-trimethylaniline
CID 82266696
5-chloro-N-ethyl-2-methoxy-3,6-dimethylaniline
CID 82266697

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(methoxymethyl)-3,4,6-trimethylaniline?
The IUPAC name of 5-chloro-2-methoxy-N-(methoxymethyl)-3,4,6-trimethylaniline (CID 115258296) is 5-chloro-2-methoxy-N-(methoxymethyl)-3,4,6-trimethylaniline.
What is the SMILES notation for 5-chloro-2-methoxy-N-(methoxymethyl)-3,4,6-trimethylaniline?
The canonical SMILES for 5-chloro-2-methoxy-N-(methoxymethyl)-3,4,6-trimethylaniline is COCNc1c(C)c(Cl)c(C)c(C)c1OC.
What is the InChIKey of 5-chloro-2-methoxy-N-(methoxymethyl)-3,4,6-trimethylaniline?
The InChIKey is VPNPCYFJCLTECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-7-8(2)12(16-5)11(14-6-15-4)9(3)10(7)13/h14H,6H2,1-5H3.
What are the key properties of 5-chloro-2-methoxy-N-(methoxymethyl)-3,4,6-trimethylaniline?
5-chloro-2-methoxy-N-(methoxymethyl)-3,4,6-trimethylaniline has a molecular weight of 243.73 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(methoxymethyl)-3,4,6-trimethylaniline is sourced from PubChem (CID 115258296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).