2-butoxy-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline

C20H27NO3 — CID 54801593

IUPAC2-butoxy-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
SMILESCCCCOc1ccccc1NCc1ccccc1OCCOC
InChIInChI=1S/C20H27NO3/c1-3-4-13-23-20-12-8-6-10-18(20)21-16-17-9-5-7-11-19(17)24-15-14-22-2/h5-12,21H,3-4,13-16H2,1-2H3
InChIKeyCYUCZKVHDBSYLX-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.50
Rot. Bonds11

About 2-butoxy-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline

2-butoxy-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline (PubChem CID 54801593) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-butoxy-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name2-butoxy-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
PubChem CID54801593
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name2-butoxy-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
SMILESCCCCOc1ccccc1NCc1ccccc1OCCOC
InChIInChI=1S/C20H27NO3/c1-3-4-13-23-20-12-8-6-10-18(20)21-16-17-9-5-7-11-19(17)24-15-14-22-2/h5-12,21H,3-4,13-16H2,1-2H3
InChIKeyCYUCZKVHDBSYLX-UHFFFAOYSA-N
XLogP4.50
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 39399682
N-[(2-hexoxyphenyl)methyl]-4-(2-methoxyethoxy)aniline
CID 54799770
N-[[2-(2-methoxyethoxy)phenyl]methyl]naphthalen-1-amine
CID 54795963
4-(2-methoxyethoxy)-N-[(2-propoxyphenyl)methyl]aniline
CID 54799789
2-(3-phenylpropoxy)-N-[(2-propoxyphenyl)methyl]aniline
CID 54801329
N-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54797439
N-[(2-fluorophenyl)methyl]-2-pentoxyaniline
CID 83961637
N-[(2-hexoxyphenyl)methyl]-2,3-dimethylaniline
CID 54797773
2-fluoro-N-[(2-propoxyphenyl)methyl]aniline
CID 39360343
[2-(2-methoxyethoxy)phenyl]methylhydrazine
CID 105220831
N-[(2-butoxyphenyl)methyl]-5-chloro-2-methylaniline
CID 39432260
2-[(2-ethoxyanilino)methyl]aniline
CID 66385823

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline?
The IUPAC name of 2-butoxy-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline (CID 54801593) is 2-butoxy-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 2-butoxy-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline?
The canonical SMILES for 2-butoxy-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline is CCCCOc1ccccc1NCc1ccccc1OCCOC.
What is the InChIKey of 2-butoxy-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline?
The InChIKey is CYUCZKVHDBSYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-3-4-13-23-20-12-8-6-10-18(20)21-16-17-9-5-7-11-19(17)24-15-14-22-2/h5-12,21H,3-4,13-16H2,1-2H3.
What are the key properties of 2-butoxy-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline?
2-butoxy-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline has a molecular weight of 329.44 g/mol, XLogP of 4.50, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 54801593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).