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

C18H23NO — CID 116926089

IUPAC4-[(2-methoxy-5-propan-2-ylphenyl)methyl]-N-methylaniline
SMILESCNc1ccc(Cc2cc(C(C)C)ccc2OC)cc1
InChIInChI=1S/C18H23NO/c1-13(2)15-7-10-18(20-4)16(12-15)11-14-5-8-17(19-3)9-6-14/h5-10,12-13,19H,11H2,1-4H3
InChIKeyQCKNRDJUNDEERW-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.45
Rot. Bonds5

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

4-[(2-methoxy-5-propan-2-ylphenyl)methyl]-N-methylaniline (PubChem CID 116926089) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[(2-methoxy-5-propan-2-ylphenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(2-methoxy-5-propan-2-ylphenyl)methyl]-N-methylaniline
PubChem CID116926089
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-[(2-methoxy-5-propan-2-ylphenyl)methyl]-N-methylaniline
SMILESCNc1ccc(Cc2cc(C(C)C)ccc2OC)cc1
InChIInChI=1S/C18H23NO/c1-13(2)15-7-10-18(20-4)16(12-15)11-14-5-8-17(19-3)9-6-14/h5-10,12-13,19H,11H2,1-4H3
InChIKeyQCKNRDJUNDEERW-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(2-methoxy-5-propan-2-ylphenyl)methyl]-N-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

4-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methylaniline
CID 116926096
1-(2-methoxy-5-propan-2-ylphenyl)-N,2-dimethylpropan-2-amine
CID 94686610
[3-[(2-methoxy-5-propan-2-ylphenyl)methyl]phenyl]methanamine
CID 116926185
4-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylaniline
CID 116926119
1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutan-2-amine
CID 112513404
[(2-methoxy-5-propan-2-ylphenyl)methylamino]methanethiol
CID 115227896
2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine
CID 117043743
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
CID 110780628
3-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,2-oxazol-5-amine
CID 82086137
2-hydroxy-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
CID 94687136
methyl 3-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylpropanoate
CID 116927536
2-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131889

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-5-propan-2-ylphenyl)methyl]-N-methylaniline?
The IUPAC name of 4-[(2-methoxy-5-propan-2-ylphenyl)methyl]-N-methylaniline (CID 116926089) is 4-[(2-methoxy-5-propan-2-ylphenyl)methyl]-N-methylaniline.
What is the SMILES notation for 4-[(2-methoxy-5-propan-2-ylphenyl)methyl]-N-methylaniline?
The canonical SMILES for 4-[(2-methoxy-5-propan-2-ylphenyl)methyl]-N-methylaniline is CNc1ccc(Cc2cc(C(C)C)ccc2OC)cc1.
What is the InChIKey of 4-[(2-methoxy-5-propan-2-ylphenyl)methyl]-N-methylaniline?
The InChIKey is QCKNRDJUNDEERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)15-7-10-18(20-4)16(12-15)11-14-5-8-17(19-3)9-6-14/h5-10,12-13,19H,11H2,1-4H3.
What are the key properties of 4-[(2-methoxy-5-propan-2-ylphenyl)methyl]-N-methylaniline?
4-[(2-methoxy-5-propan-2-ylphenyl)methyl]-N-methylaniline has a molecular weight of 269.39 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-5-propan-2-ylphenyl)methyl]-N-methylaniline is sourced from PubChem (CID 116926089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).