4-methoxy-N-(methoxymethyl)-N,2-dimethyl-5-propan-2-ylaniline

C14H23NO2 — CID 115258354

IUPAC4-methoxy-N-(methoxymethyl)-N,2-dimethyl-5-propan-2-ylaniline
SMILESCOCN(C)c1cc(C(C)C)c(OC)cc1C
InChIInChI=1S/C14H23NO2/c1-10(2)12-8-13(15(4)9-16-5)11(3)7-14(12)17-6/h7-8,10H,9H2,1-6H3
InChIKeyJKFXSLJXKVMZIM-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.17
Rot. Bonds5

About 4-methoxy-N-(methoxymethyl)-N,2-dimethyl-5-propan-2-ylaniline

4-methoxy-N-(methoxymethyl)-N,2-dimethyl-5-propan-2-ylaniline (PubChem CID 115258354) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-methoxy-N-(methoxymethyl)-N,2-dimethyl-5-propan-2-ylaniline.

Molecular Properties

Compound Name4-methoxy-N-(methoxymethyl)-N,2-dimethyl-5-propan-2-ylaniline
PubChem CID115258354
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-methoxy-N-(methoxymethyl)-N,2-dimethyl-5-propan-2-ylaniline
SMILESCOCN(C)c1cc(C(C)C)c(OC)cc1C
InChIInChI=1S/C14H23NO2/c1-10(2)12-8-13(15(4)9-16-5)11(3)7-14(12)17-6/h7-8,10H,9H2,1-6H3
InChIKeyJKFXSLJXKVMZIM-UHFFFAOYSA-N
XLogP3.17
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.17
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

1-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196385
N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N,N'-dimethylmethanediamine
CID 115226664
N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N'-methylethane-1,2-diamine
CID 96674273
(4-methoxy-2-methyl-5-propan-2-ylphenyl)-methylcarbamic acid
CID 115170722
2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131764
4-methoxy-N-(methoxymethyl)-N-methyl-3-propan-2-ylaniline
CID 115258339
methyl N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylcarbamate
CID 115190466
N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-2-oxoacetamide
CID 115166049
3-chloro-6-methoxy-N-(methoxymethyl)-N,2,4-trimethylaniline
CID 115258379
N-(2-chloroethyl)-4,5-dimethoxy-N,2-dimethylaniline
CID 115214735
N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylmethanediamine
CID 115225872
N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98784421

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(methoxymethyl)-N,2-dimethyl-5-propan-2-ylaniline?
The IUPAC name of 4-methoxy-N-(methoxymethyl)-N,2-dimethyl-5-propan-2-ylaniline (CID 115258354) is 4-methoxy-N-(methoxymethyl)-N,2-dimethyl-5-propan-2-ylaniline.
What is the SMILES notation for 4-methoxy-N-(methoxymethyl)-N,2-dimethyl-5-propan-2-ylaniline?
The canonical SMILES for 4-methoxy-N-(methoxymethyl)-N,2-dimethyl-5-propan-2-ylaniline is COCN(C)c1cc(C(C)C)c(OC)cc1C.
What is the InChIKey of 4-methoxy-N-(methoxymethyl)-N,2-dimethyl-5-propan-2-ylaniline?
The InChIKey is JKFXSLJXKVMZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)12-8-13(15(4)9-16-5)11(3)7-14(12)17-6/h7-8,10H,9H2,1-6H3.
What are the key properties of 4-methoxy-N-(methoxymethyl)-N,2-dimethyl-5-propan-2-ylaniline?
4-methoxy-N-(methoxymethyl)-N,2-dimethyl-5-propan-2-ylaniline has a molecular weight of 237.34 g/mol, XLogP of 3.17, 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,2-dimethyl-5-propan-2-ylaniline is sourced from PubChem (CID 115258354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).