4-methoxy-N-(methoxymethyl)-N-methyl-3-propan-2-ylaniline

C13H21NO2 — CID 115258339

IUPAC4-methoxy-N-(methoxymethyl)-N-methyl-3-propan-2-ylaniline
SMILESCOCN(C)c1ccc(OC)c(C(C)C)c1
InChIInChI=1S/C13H21NO2/c1-10(2)12-8-11(14(3)9-15-4)6-7-13(12)16-5/h6-8,10H,9H2,1-5H3
InChIKeyLRJATBLLVZJDGO-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.86
Rot. Bonds5

About 4-methoxy-N-(methoxymethyl)-N-methyl-3-propan-2-ylaniline

4-methoxy-N-(methoxymethyl)-N-methyl-3-propan-2-ylaniline (PubChem CID 115258339) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-methoxy-N-(methoxymethyl)-N-methyl-3-propan-2-ylaniline.

Molecular Properties

Compound Name4-methoxy-N-(methoxymethyl)-N-methyl-3-propan-2-ylaniline
PubChem CID115258339
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-methoxy-N-(methoxymethyl)-N-methyl-3-propan-2-ylaniline
SMILESCOCN(C)c1ccc(OC)c(C(C)C)c1
InChIInChI=1S/C13H21NO2/c1-10(2)12-8-11(14(3)9-15-4)6-7-13(12)16-5/h6-8,10H,9H2,1-5H3
InChIKeyLRJATBLLVZJDGO-UHFFFAOYSA-N
XLogP2.86
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxy-N-methyl-3-propan-2-ylanilino)acetamide
CID 115259761
N-(4-methoxy-3-propan-2-ylphenyl)-N,2-dimethylbutane-1,4-diamine
CID 115202419
4-methoxy-N-(methoxymethyl)-N,2-dimethyl-5-propan-2-ylaniline
CID 115258354
2-N-(4-methoxy-3-propan-2-ylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138007
(E)-4-(4-methoxy-N-methyl-3-propan-2-ylanilino)but-2-enoic acid
CID 115236974
2-hydroxy-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide
CID 115139677
2-chloro-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide
CID 115161877
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
N-(chloromethyl)-2-(4-methoxy-3-propan-2-ylphenyl)-N-methylethanamine
CID 115263486
2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol
CID 82126770
N-(chloromethyl)-3,4-dimethoxy-N-methylaniline
CID 115262807
1-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 115136999

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(methoxymethyl)-N-methyl-3-propan-2-ylaniline?
The IUPAC name of 4-methoxy-N-(methoxymethyl)-N-methyl-3-propan-2-ylaniline (CID 115258339) is 4-methoxy-N-(methoxymethyl)-N-methyl-3-propan-2-ylaniline.
What is the SMILES notation for 4-methoxy-N-(methoxymethyl)-N-methyl-3-propan-2-ylaniline?
The canonical SMILES for 4-methoxy-N-(methoxymethyl)-N-methyl-3-propan-2-ylaniline is COCN(C)c1ccc(OC)c(C(C)C)c1.
What is the InChIKey of 4-methoxy-N-(methoxymethyl)-N-methyl-3-propan-2-ylaniline?
The InChIKey is LRJATBLLVZJDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(2)12-8-11(14(3)9-15-4)6-7-13(12)16-5/h6-8,10H,9H2,1-5H3.
What are the key properties of 4-methoxy-N-(methoxymethyl)-N-methyl-3-propan-2-ylaniline?
4-methoxy-N-(methoxymethyl)-N-methyl-3-propan-2-ylaniline has a molecular weight of 223.32 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(methoxymethyl)-N-methyl-3-propan-2-ylaniline is sourced from PubChem (CID 115258339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).