4-[(4-methylphenyl)methoxy]-N-propan-2-ylaniline

C17H21NO — CID 155469533

IUPAC4-[(4-methylphenyl)methoxy]-N-propan-2-ylaniline
SMILESCc1ccc(COc2ccc(NC(C)C)cc2)cc1
InChIInChI=1S/C17H21NO/c1-13(2)18-16-8-10-17(11-9-16)19-12-15-6-4-14(3)5-7-15/h4-11,13,18H,12H2,1-3H3
InChIKeyUZPUVRYMXKXWGS-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.39
Rot. Bonds5

About 4-[(4-methylphenyl)methoxy]-N-propan-2-ylaniline

4-[(4-methylphenyl)methoxy]-N-propan-2-ylaniline (PubChem CID 155469533) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methoxy]-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-[(4-methylphenyl)methoxy]-N-propan-2-ylaniline
PubChem CID155469533
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-[(4-methylphenyl)methoxy]-N-propan-2-ylaniline
SMILESCc1ccc(COc2ccc(NC(C)C)cc2)cc1
InChIInChI=1S/C17H21NO/c1-13(2)18-16-8-10-17(11-9-16)19-12-15-6-4-14(3)5-7-15/h4-11,13,18H,12H2,1-3H3
InChIKeyUZPUVRYMXKXWGS-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-[(4-methylphenyl)methoxy]-N-propan-2-ylaniline 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

1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
4-(4-methylphenoxy)-N-propan-2-ylaniline
CID 21043850
4-[(3-fluorophenyl)methoxy]-N-propan-2-ylaniline
CID 155469561
3-[4-[(4-methylphenyl)methoxy]anilino]propane-1,2-diol
CID 168595338
1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene
CID 22983698
2-[4-[(4-methylphenoxy)methyl]phenyl]propan-1-amine
CID 105350241
4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 43184619
N-propan-2-yl-4-propoxyaniline
CID 21311809
[4-[(4-methylphenyl)methoxy]phenyl]methyl (2R)-2-aminopropanoate
CID 176827947
N-[1-[4-[(4-methylphenyl)methoxy]phenyl]ethyl]propan-1-amine
CID 43279374
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117506
(1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 29186393

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methoxy]-N-propan-2-ylaniline?
The IUPAC name of 4-[(4-methylphenyl)methoxy]-N-propan-2-ylaniline (CID 155469533) is 4-[(4-methylphenyl)methoxy]-N-propan-2-ylaniline.
What is the SMILES notation for 4-[(4-methylphenyl)methoxy]-N-propan-2-ylaniline?
The canonical SMILES for 4-[(4-methylphenyl)methoxy]-N-propan-2-ylaniline is Cc1ccc(COc2ccc(NC(C)C)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methoxy]-N-propan-2-ylaniline?
The InChIKey is UZPUVRYMXKXWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13(2)18-16-8-10-17(11-9-16)19-12-15-6-4-14(3)5-7-15/h4-11,13,18H,12H2,1-3H3.
What are the key properties of 4-[(4-methylphenyl)methoxy]-N-propan-2-ylaniline?
4-[(4-methylphenyl)methoxy]-N-propan-2-ylaniline has a molecular weight of 255.36 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methoxy]-N-propan-2-ylaniline is sourced from PubChem (CID 155469533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).