N-[(4-butoxyphenyl)methyl]-2,5-dimethoxyaniline

C19H25NO3 — CID 54797069

IUPACN-[(4-butoxyphenyl)methyl]-2,5-dimethoxyaniline
SMILESCCCCOc1ccc(CNc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C19H25NO3/c1-4-5-12-23-16-8-6-15(7-9-16)14-20-18-13-17(21-2)10-11-19(18)22-3/h6-11,13,20H,4-5,12,14H2,1-3H3
InChIKeyLFUVOWPAQLPTFQ-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.49
Rot. Bonds9

About N-[(4-butoxyphenyl)methyl]-2,5-dimethoxyaniline

N-[(4-butoxyphenyl)methyl]-2,5-dimethoxyaniline (PubChem CID 54797069) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is N-[(4-butoxyphenyl)methyl]-2,5-dimethoxyaniline.

Molecular Properties

Compound NameN-[(4-butoxyphenyl)methyl]-2,5-dimethoxyaniline
PubChem CID54797069
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC NameN-[(4-butoxyphenyl)methyl]-2,5-dimethoxyaniline
SMILESCCCCOc1ccc(CNc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C19H25NO3/c1-4-5-12-23-16-8-6-15(7-9-16)14-20-18-13-17(21-2)10-11-19(18)22-3/h6-11,13,20H,4-5,12,14H2,1-3H3
InChIKeyLFUVOWPAQLPTFQ-UHFFFAOYSA-N
XLogP4.49
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.49
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

N-[(4-butoxyphenyl)methyl]-2-methoxy-5-methylaniline
CID 39422641
2,5-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 28543653
2,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 54797025
5-bromo-N-[(4-ethoxyphenyl)methyl]-2-methoxyaniline
CID 61060250
2-methoxy-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54798109
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
4-[(2,5-dimethoxyanilino)methyl]-2,6-dimethylphenol
CID 28932279
4-[(2,5-dimethoxyanilino)methyl]-2-fluorophenol
CID 107685258
2-methoxy-5-methyl-N-[4-(4-methylphenoxy)butyl]aniline
CID 82096579
2,5-dimethoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 54796992
N-[(3-butoxy-4-methoxyphenyl)methyl]-2-fluoroaniline
CID 39430215
1-butoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 145063136

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxyphenyl)methyl]-2,5-dimethoxyaniline?
The IUPAC name of N-[(4-butoxyphenyl)methyl]-2,5-dimethoxyaniline (CID 54797069) is N-[(4-butoxyphenyl)methyl]-2,5-dimethoxyaniline.
What is the SMILES notation for N-[(4-butoxyphenyl)methyl]-2,5-dimethoxyaniline?
The canonical SMILES for N-[(4-butoxyphenyl)methyl]-2,5-dimethoxyaniline is CCCCOc1ccc(CNc2cc(OC)ccc2OC)cc1.
What is the InChIKey of N-[(4-butoxyphenyl)methyl]-2,5-dimethoxyaniline?
The InChIKey is LFUVOWPAQLPTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-4-5-12-23-16-8-6-15(7-9-16)14-20-18-13-17(21-2)10-11-19(18)22-3/h6-11,13,20H,4-5,12,14H2,1-3H3.
What are the key properties of N-[(4-butoxyphenyl)methyl]-2,5-dimethoxyaniline?
N-[(4-butoxyphenyl)methyl]-2,5-dimethoxyaniline has a molecular weight of 315.41 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxyphenyl)methyl]-2,5-dimethoxyaniline is sourced from PubChem (CID 54797069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).