N-[(4-butoxyphenyl)methyl]-2-methoxy-5-methylaniline

C19H25NO2 — CID 39422641

IUPACN-[(4-butoxyphenyl)methyl]-2-methoxy-5-methylaniline
SMILESCCCCOc1ccc(CNc2cc(C)ccc2OC)cc1
InChIInChI=1S/C19H25NO2/c1-4-5-12-22-17-9-7-16(8-10-17)14-20-18-13-15(2)6-11-19(18)21-3/h6-11,13,20H,4-5,12,14H2,1-3H3
InChIKeyMCCITAJBFXWVJD-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.79
Rot. Bonds8

About N-[(4-butoxyphenyl)methyl]-2-methoxy-5-methylaniline

N-[(4-butoxyphenyl)methyl]-2-methoxy-5-methylaniline (PubChem CID 39422641) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[(4-butoxyphenyl)methyl]-2-methoxy-5-methylaniline.

Molecular Properties

Compound NameN-[(4-butoxyphenyl)methyl]-2-methoxy-5-methylaniline
PubChem CID39422641
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-[(4-butoxyphenyl)methyl]-2-methoxy-5-methylaniline
SMILESCCCCOc1ccc(CNc2cc(C)ccc2OC)cc1
InChIInChI=1S/C19H25NO2/c1-4-5-12-22-17-9-7-16(8-10-17)14-20-18-13-15(2)6-11-19(18)21-3/h6-11,13,20H,4-5,12,14H2,1-3H3
InChIKeyMCCITAJBFXWVJD-UHFFFAOYSA-N
XLogP4.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-butoxyphenyl)methyl]-2-methoxy-5-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-butoxyphenyl)methyl]-2,5-dimethoxyaniline
CID 54797069
2-methoxy-5-methyl-N-[4-(4-methylphenoxy)butyl]aniline
CID 82096579
5-bromo-N-[(4-ethoxyphenyl)methyl]-2-methoxyaniline
CID 61060250
N-(2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide
CID 19191443
N-[(4-butoxyphenyl)methyl]-2,4,6-trimethylaniline
CID 39418727
4-[2-(2-methoxy-5-methylanilino)ethoxy]benzonitrile
CID 51248463
2-methoxy-4-methyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 60931237
4-N-(2-methoxy-5-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872974
2-methoxy-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54798109
1-[3-(4-ethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2288865
2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 54865900
2-bromo-4-[(2-methoxy-5-methylanilino)methyl]phenol
CID 63046876

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxyphenyl)methyl]-2-methoxy-5-methylaniline?
The IUPAC name of N-[(4-butoxyphenyl)methyl]-2-methoxy-5-methylaniline (CID 39422641) is N-[(4-butoxyphenyl)methyl]-2-methoxy-5-methylaniline.
What is the SMILES notation for N-[(4-butoxyphenyl)methyl]-2-methoxy-5-methylaniline?
The canonical SMILES for N-[(4-butoxyphenyl)methyl]-2-methoxy-5-methylaniline is CCCCOc1ccc(CNc2cc(C)ccc2OC)cc1.
What is the InChIKey of N-[(4-butoxyphenyl)methyl]-2-methoxy-5-methylaniline?
The InChIKey is MCCITAJBFXWVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-4-5-12-22-17-9-7-16(8-10-17)14-20-18-13-15(2)6-11-19(18)21-3/h6-11,13,20H,4-5,12,14H2,1-3H3.
What are the key properties of N-[(4-butoxyphenyl)methyl]-2-methoxy-5-methylaniline?
N-[(4-butoxyphenyl)methyl]-2-methoxy-5-methylaniline has a molecular weight of 299.41 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxyphenyl)methyl]-2-methoxy-5-methylaniline is sourced from PubChem (CID 39422641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).