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

C12H18ClNO2 — CID 115258379

IUPAC3-chloro-6-methoxy-N-(methoxymethyl)-N,2,4-trimethylaniline
SMILESCOCN(C)c1c(OC)cc(C)c(Cl)c1C
InChIInChI=1S/C12H18ClNO2/c1-8-6-10(16-5)12(9(2)11(8)13)14(3)7-15-4/h6H,7H2,1-5H3
InChIKeyZMSALKOQQKNQMQ-UHFFFAOYSA-N
MW243.73 g/mol
LogP3.01
Rot. Bonds4

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

3-chloro-6-methoxy-N-(methoxymethyl)-N,2,4-trimethylaniline (PubChem CID 115258379) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 3-chloro-6-methoxy-N-(methoxymethyl)-N,2,4-trimethylaniline.

Molecular Properties

Compound Name3-chloro-6-methoxy-N-(methoxymethyl)-N,2,4-trimethylaniline
PubChem CID115258379
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name3-chloro-6-methoxy-N-(methoxymethyl)-N,2,4-trimethylaniline
SMILESCOCN(C)c1c(OC)cc(C)c(Cl)c1C
InChIInChI=1S/C12H18ClNO2/c1-8-6-10(16-5)12(9(2)11(8)13)14(3)7-15-4/h6H,7H2,1-5H3
InChIKeyZMSALKOQQKNQMQ-UHFFFAOYSA-N
XLogP3.01
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 53.01
H-Bond Donors ≤ 50
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

1-(3-chloro-6-methoxy-N,2,4-trimethylanilino)propan-2-one
CID 115234582
2,4-dimethoxy-N-(methoxymethyl)-N,6-dimethylaniline
CID 115258433
N-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methyl-2-oxopropanamide
CID 115175491
4-methoxy-N-(methoxymethyl)-N,2-dimethyl-5-propan-2-ylaniline
CID 115258354
N-ethyl-4-methoxy-N,2,3,6-tetramethylaniline
CID 115259372
2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine
CID 116937561
N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine
CID 115226535
2-(3-chloro-6-methoxy-2,4-dimethylanilino)-N,N-dimethylacetamide
CID 96679162
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methyloxirane
CID 116863468
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)aziridine
CID 82470889
3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol
CID 83938113
N-(2-chloroethyl)-4,5-dimethoxy-N,2-dimethylaniline
CID 115214735

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methoxy-N-(methoxymethyl)-N,2,4-trimethylaniline?
The IUPAC name of 3-chloro-6-methoxy-N-(methoxymethyl)-N,2,4-trimethylaniline (CID 115258379) is 3-chloro-6-methoxy-N-(methoxymethyl)-N,2,4-trimethylaniline.
What is the SMILES notation for 3-chloro-6-methoxy-N-(methoxymethyl)-N,2,4-trimethylaniline?
The canonical SMILES for 3-chloro-6-methoxy-N-(methoxymethyl)-N,2,4-trimethylaniline is COCN(C)c1c(OC)cc(C)c(Cl)c1C.
What is the InChIKey of 3-chloro-6-methoxy-N-(methoxymethyl)-N,2,4-trimethylaniline?
The InChIKey is ZMSALKOQQKNQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-8-6-10(16-5)12(9(2)11(8)13)14(3)7-15-4/h6H,7H2,1-5H3.
What are the key properties of 3-chloro-6-methoxy-N-(methoxymethyl)-N,2,4-trimethylaniline?
3-chloro-6-methoxy-N-(methoxymethyl)-N,2,4-trimethylaniline has a molecular weight of 243.73 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methoxy-N-(methoxymethyl)-N,2,4-trimethylaniline is sourced from PubChem (CID 115258379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).