4-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylaniline

C18H23NO — CID 116926171

IUPAC4-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylaniline
SMILESCNc1ccc(Cc2c(C)cc(C)c(C)c2OC)cc1
InChIInChI=1S/C18H23NO/c1-12-10-13(2)17(18(20-5)14(12)3)11-15-6-8-16(19-4)9-7-15/h6-10,19H,11H2,1-5H3
InChIKeyAAUGZHGKFQGMHP-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.25
Rot. Bonds4

About 4-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylaniline

4-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylaniline (PubChem CID 116926171) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylaniline
PubChem CID116926171
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylaniline
SMILESCNc1ccc(Cc2c(C)cc(C)c(C)c2OC)cc1
InChIInChI=1S/C18H23NO/c1-12-10-13(2)17(18(20-5)14(12)3)11-15-6-8-16(19-4)9-7-15/h6-10,19H,11H2,1-5H3
InChIKeyAAUGZHGKFQGMHP-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methylaniline
CID 116926096
4-(2-methoxy-3,5-dimethylphenyl)-N-methylaniline
CID 116962482
4-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylaniline
CID 116926119
2-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol
CID 116927327
1-N,4-N-dimethyl-4-N-(2,3,5,6-tetramethylphenyl)benzene-1,4-diamine
CID 117041371
2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamic acid
CID 115171197
N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-(methylamino)propanamide
CID 115153253
2-methoxy-1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene
CID 71397696
[(2-methoxy-3,4,6-trimethylphenyl)methyl-methylamino]methanol
CID 115229239
N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117044095
1,2,3,4-tetramethoxy-5-[(4-methoxyphenyl)methyl]-6-methylbenzene
CID 142654799
N'-[(2-methoxy-3,4,6-trimethylphenyl)methyl]butane-1,4-diamine
CID 115201256

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylaniline?
The IUPAC name of 4-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylaniline (CID 116926171) is 4-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylaniline.
What is the SMILES notation for 4-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylaniline?
The canonical SMILES for 4-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylaniline is CNc1ccc(Cc2c(C)cc(C)c(C)c2OC)cc1.
What is the InChIKey of 4-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylaniline?
The InChIKey is AAUGZHGKFQGMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-12-10-13(2)17(18(20-5)14(12)3)11-15-6-8-16(19-4)9-7-15/h6-10,19H,11H2,1-5H3.
What are the key properties of 4-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylaniline?
4-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylaniline has a molecular weight of 269.39 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylaniline is sourced from PubChem (CID 116926171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).