2,4,6-trimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline

C24H27NO — CID 54796665

IUPAC2,4,6-trimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
SMILESCc1cc(C)c(NCc2cccc(OCCc3ccccc3)c2)c(C)c1
InChIInChI=1S/C24H27NO/c1-18-14-19(2)24(20(3)15-18)25-17-22-10-7-11-23(16-22)26-13-12-21-8-5-4-6-9-21/h4-11,14-16,25H,12-13,17H2,1-3H3
InChIKeyAACREALBHWOFMP-UHFFFAOYSA-N
MW345.49 g/mol
LogP5.85
Rot. Bonds7

About 2,4,6-trimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline

2,4,6-trimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline (PubChem CID 54796665) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
PubChem CID54796665
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC Name2,4,6-trimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
SMILESCc1cc(C)c(NCc2cccc(OCCc3ccccc3)c2)c(C)c1
InChIInChI=1S/C24H27NO/c1-18-14-19(2)24(20(3)15-18)25-17-22-10-7-11-23(16-22)26-13-12-21-8-5-4-6-9-21/h4-11,14-16,25H,12-13,17H2,1-3H3
InChIKeyAACREALBHWOFMP-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-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline
CID 39368420
2,4,6-trimethyl-N-[[3-(3-methylbutoxy)phenyl]methyl]aniline
CID 54796633
2,3-dimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797823
2,4,6-trimethyl-N-[[2-(2-phenylethoxy)phenyl]methyl]aniline
CID 54796664
N-[(3-butoxyphenyl)methyl]-2,6-dimethylaniline
CID 39384036
3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797531
N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine
CID 39368943
1-(4-tert-butylphenyl)-N-[[3-(2-phenylethoxy)phenyl]methyl]methanamine
CID 54804574
N-[(3-cyclopentyloxyphenyl)methyl]-2,4,6-trimethylaniline
CID 39446655
4-hexoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54798860
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699
N-[(4-butoxyphenyl)methyl]-2,4,6-trimethylaniline
CID 39418727

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline?
The IUPAC name of 2,4,6-trimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline (CID 54796665) is 2,4,6-trimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 2,4,6-trimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline?
The canonical SMILES for 2,4,6-trimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline is Cc1cc(C)c(NCc2cccc(OCCc3ccccc3)c2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline?
The InChIKey is AACREALBHWOFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO/c1-18-14-19(2)24(20(3)15-18)25-17-22-10-7-11-23(16-22)26-13-12-21-8-5-4-6-9-21/h4-11,14-16,25H,12-13,17H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline?
2,4,6-trimethyl-N-[[3-(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-[[3-(2-phenylethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 54796665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).