5-tert-butyl-2-methoxy-N-(methoxymethyl)-N-methylaniline

C14H23NO2 — CID 115258334

IUPAC5-tert-butyl-2-methoxy-N-(methoxymethyl)-N-methylaniline
SMILESCOCN(C)c1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C14H23NO2/c1-14(2,3)11-7-8-13(17-6)12(9-11)15(4)10-16-5/h7-9H,10H2,1-6H3
InChIKeyFVPRVIQVSPTTGH-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.03
Rot. Bonds4

About 5-tert-butyl-2-methoxy-N-(methoxymethyl)-N-methylaniline

5-tert-butyl-2-methoxy-N-(methoxymethyl)-N-methylaniline (PubChem CID 115258334) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 5-tert-butyl-2-methoxy-N-(methoxymethyl)-N-methylaniline.

Molecular Properties

Compound Name5-tert-butyl-2-methoxy-N-(methoxymethyl)-N-methylaniline
PubChem CID115258334
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name5-tert-butyl-2-methoxy-N-(methoxymethyl)-N-methylaniline
SMILESCOCN(C)c1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C14H23NO2/c1-14(2,3)11-7-8-13(17-6)12(9-11)15(4)10-16-5/h7-9H,10H2,1-6H3
InChIKeyFVPRVIQVSPTTGH-UHFFFAOYSA-N
XLogP3.03
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.03
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

5-tert-butyl-N-(2-chloroethyl)-2-methoxy-N-methylaniline
CID 115214686
4-(5-tert-butyl-2-methoxy-N-methylanilino)butan-1-ol
CID 115217458
N-(5-tert-butyl-2-methoxyphenyl)-2-hydroxy-N-methylacetamide
CID 115139672
N-(5-tert-butyl-2-methoxyphenyl)-N-methylcarbamoyl bromide
CID 115193389
1-(5-tert-butyl-2-methoxyphenyl)-1,3-dimethylurea
CID 115168970
cerium(4+);tetrakis(N,5-ditert-butyl-2-methoxy-N-oxidoaniline)
CID 139163937
2-(5-tert-butyl-2-methoxy-N-methylanilino)propanenitrile
CID 115129971
1-(5-tert-butyl-2-methoxyphenyl)-1-[4-(pyridin-4-ylmethyl)phenyl]urea
CID 70896703
(5-tert-butyl-2-methoxyphenyl)methyl-methylcyanamide
CID 117043311
(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 83533648
(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869
1-(5-tert-butyl-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914596

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methoxy-N-(methoxymethyl)-N-methylaniline?
The IUPAC name of 5-tert-butyl-2-methoxy-N-(methoxymethyl)-N-methylaniline (CID 115258334) is 5-tert-butyl-2-methoxy-N-(methoxymethyl)-N-methylaniline.
What is the SMILES notation for 5-tert-butyl-2-methoxy-N-(methoxymethyl)-N-methylaniline?
The canonical SMILES for 5-tert-butyl-2-methoxy-N-(methoxymethyl)-N-methylaniline is COCN(C)c1cc(C(C)(C)C)ccc1OC.
What is the InChIKey of 5-tert-butyl-2-methoxy-N-(methoxymethyl)-N-methylaniline?
The InChIKey is FVPRVIQVSPTTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2,3)11-7-8-13(17-6)12(9-11)15(4)10-16-5/h7-9H,10H2,1-6H3.
What are the key properties of 5-tert-butyl-2-methoxy-N-(methoxymethyl)-N-methylaniline?
5-tert-butyl-2-methoxy-N-(methoxymethyl)-N-methylaniline has a molecular weight of 237.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methoxy-N-(methoxymethyl)-N-methylaniline is sourced from PubChem (CID 115258334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).