4-tert-butyl-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline

C20H27NO2 — CID 39455772

IUPAC4-tert-butyl-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
SMILESCOCCOc1ccccc1CNc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H27NO2/c1-20(2,3)17-9-11-18(12-10-17)21-15-16-7-5-6-8-19(16)23-14-13-22-4/h5-12,21H,13-15H2,1-4H3
InChIKeyGEQQYWAZBSBITP-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.62
Rot. Bonds7

About 4-tert-butyl-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline

4-tert-butyl-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline (PubChem CID 39455772) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 4-tert-butyl-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name4-tert-butyl-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
PubChem CID39455772
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name4-tert-butyl-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
SMILESCOCCOc1ccccc1CNc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H27NO2/c1-20(2,3)17-9-11-18(12-10-17)21-15-16-7-5-6-8-19(16)23-14-13-22-4/h5-12,21H,13-15H2,1-4H3
InChIKeyGEQQYWAZBSBITP-UHFFFAOYSA-N
XLogP4.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-butoxyphenyl)methyl]-4-tert-butylaniline
CID 39451770
4-(2-methoxyethoxy)-N-[(2-propoxyphenyl)methyl]aniline
CID 54799789
N-[(2-hexoxyphenyl)methyl]-4-(2-methoxyethoxy)aniline
CID 54799770
3-fluoro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 39374232
[2-(2-methoxyethoxy)phenyl]methylhydrazine
CID 105220831
2-chloro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 39399682
2-butoxy-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 54801593
4-methyl-N-[(2-propoxyphenyl)methyl]aniline
CID 39357777
4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline
CID 39422649
N-[[2-(2-methoxyethoxy)phenyl]methyl]naphthalen-1-amine
CID 54795963
N-[[2-(2-methoxyethoxy)phenyl]methyl]-2,4,6-trimethylaniline
CID 39422606
4-fluoro-N-[[2-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54796483

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline?
The IUPAC name of 4-tert-butyl-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline (CID 39455772) is 4-tert-butyl-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 4-tert-butyl-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline?
The canonical SMILES for 4-tert-butyl-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline is COCCOc1ccccc1CNc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline?
The InChIKey is GEQQYWAZBSBITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-20(2,3)17-9-11-18(12-10-17)21-15-16-7-5-6-8-19(16)23-14-13-22-4/h5-12,21H,13-15H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline?
4-tert-butyl-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline has a molecular weight of 313.44 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 39455772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).