2,4,6-trimethyl-N-[[2-(2-phenylethoxy)phenyl]methyl]aniline

C24H27NO — CID 54796664

IUPAC2,4,6-trimethyl-N-[[2-(2-phenylethoxy)phenyl]methyl]aniline
SMILESCc1cc(C)c(NCc2ccccc2OCCc2ccccc2)c(C)c1
InChIInChI=1S/C24H27NO/c1-18-15-19(2)24(20(3)16-18)25-17-22-11-7-8-12-23(22)26-14-13-21-9-5-4-6-10-21/h4-12,15-16,25H,13-14,17H2,1-3H3
InChIKeyOPTLHDQEQHTWHL-UHFFFAOYSA-N
MW345.49 g/mol
LogP5.85
Rot. Bonds7

About 2,4,6-trimethyl-N-[[2-(2-phenylethoxy)phenyl]methyl]aniline

2,4,6-trimethyl-N-[[2-(2-phenylethoxy)phenyl]methyl]aniline (PubChem CID 54796664) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[[2-(2-phenylethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[[2-(2-phenylethoxy)phenyl]methyl]aniline
PubChem CID54796664
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC Name2,4,6-trimethyl-N-[[2-(2-phenylethoxy)phenyl]methyl]aniline
SMILESCc1cc(C)c(NCc2ccccc2OCCc2ccccc2)c(C)c1
InChIInChI=1S/C24H27NO/c1-18-15-19(2)24(20(3)16-18)25-17-22-11-7-8-12-23(22)26-14-13-21-9-5-4-6-10-21/h4-12,15-16,25H,13-14,17H2,1-3H3
InChIKeyOPTLHDQEQHTWHL-UHFFFAOYSA-N
XLogP5.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-methoxyethoxy)phenyl]methyl]-2,4,6-trimethylaniline
CID 39422606
2,4,6-trimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54796665
2,4,6-trimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
CID 39418717
1-(4-methylphenyl)-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine
CID 54804431
1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine
CID 54797328
N-[[2-(2-phenylethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801323
N-[[2-(2-phenylethoxy)phenyl]methyl]naphthalen-1-amine
CID 54795991
N-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(2-phenylethoxy)aniline
CID 54802511
N-[[2-(2-phenylethoxy)phenyl]methyl]-4-phenylmethoxyaniline
CID 54799401
1-phenyl-2-[[2-(2-phenylethoxy)phenyl]methyl]hydrazine
CID 169385834
1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 46736198
2-(3-phenylpropoxy)-N-[(2-propoxyphenyl)methyl]aniline
CID 54801329

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[[2-(2-phenylethoxy)phenyl]methyl]aniline?
The IUPAC name of 2,4,6-trimethyl-N-[[2-(2-phenylethoxy)phenyl]methyl]aniline (CID 54796664) is 2,4,6-trimethyl-N-[[2-(2-phenylethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 2,4,6-trimethyl-N-[[2-(2-phenylethoxy)phenyl]methyl]aniline?
The canonical SMILES for 2,4,6-trimethyl-N-[[2-(2-phenylethoxy)phenyl]methyl]aniline is Cc1cc(C)c(NCc2ccccc2OCCc2ccccc2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[[2-(2-phenylethoxy)phenyl]methyl]aniline?
The InChIKey is OPTLHDQEQHTWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO/c1-18-15-19(2)24(20(3)16-18)25-17-22-11-7-8-12-23(22)26-14-13-21-9-5-4-6-10-21/h4-12,15-16,25H,13-14,17H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-[[2-(2-phenylethoxy)phenyl]methyl]aniline?
2,4,6-trimethyl-N-[[2-(2-phenylethoxy)phenyl]methyl]aniline has a molecular weight of 345.49 g/mol, XLogP of 5.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[[2-(2-phenylethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 54796664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).