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

C17H21NO — CID 116926096

IUPAC4-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methylaniline
SMILESCNc1ccc(Cc2cc(C)c(C)cc2OC)cc1
InChIInChI=1S/C17H21NO/c1-12-9-15(17(19-4)10-13(12)2)11-14-5-7-16(18-3)8-6-14/h5-10,18H,11H2,1-4H3
InChIKeyPCTWLJUUOPIOPZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.94
Rot. Bonds4

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

4-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methylaniline (PubChem CID 116926096) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methylaniline
PubChem CID116926096
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methylaniline
SMILESCNc1ccc(Cc2cc(C)c(C)cc2OC)cc1
InChIInChI=1S/C17H21NO/c1-12-9-15(17(19-4)10-13(12)2)11-14-5-7-16(18-3)8-6-14/h5-10,18H,11H2,1-4H3
InChIKeyPCTWLJUUOPIOPZ-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylaniline
CID 116926119
4-[(2-methoxy-5-propan-2-ylphenyl)methyl]-N-methylaniline
CID 116926089
ethane;4-methoxy-N,3-dimethylaniline
CID 142876075
1,5-dibenzyl-2,4-dimethoxybenzene
CID 134865682
N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline
CID 15735
4-(4-methoxy-2,5-dimethylphenyl)-N-methylaniline
CID 116962460
4-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylaniline
CID 116926171
N-methyl-4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]aniline
CID 116926122
5-[(4,5-dimethyl-3-pyridinyl)methyl]-2-methoxyphenol
CID 123389699
4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 63455858
4-(2-methoxy-3,5-dimethylphenyl)-N-methylaniline
CID 116962482
4-[(2,5-dimethoxyphenyl)methyl]-2-methylaniline
CID 39359260

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methylaniline?
The IUPAC name of 4-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methylaniline (CID 116926096) is 4-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methylaniline.
What is the SMILES notation for 4-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methylaniline?
The canonical SMILES for 4-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methylaniline is CNc1ccc(Cc2cc(C)c(C)cc2OC)cc1.
What is the InChIKey of 4-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methylaniline?
The InChIKey is PCTWLJUUOPIOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-9-15(17(19-4)10-13(12)2)11-14-5-7-16(18-3)8-6-14/h5-10,18H,11H2,1-4H3.
What are the key properties of 4-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methylaniline?
4-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methylaniline has a molecular weight of 255.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methylaniline is sourced from PubChem (CID 116926096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).