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

C20H27NO — CID 39418717

IUPAC2,4,6-trimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
SMILESCc1cc(C)c(NCc2ccccc2OCC(C)C)c(C)c1
InChIInChI=1S/C20H27NO/c1-14(2)13-22-19-9-7-6-8-18(19)12-21-20-16(4)10-15(3)11-17(20)5/h6-11,14,21H,12-13H2,1-5H3
InChIKeyQNTOWDWWZFSBGI-UHFFFAOYSA-N
MW297.44 g/mol
LogP5.26
Rot. Bonds6

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

2,4,6-trimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline (PubChem CID 39418717) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
PubChem CID39418717
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name2,4,6-trimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
SMILESCc1cc(C)c(NCc2ccccc2OCC(C)C)c(C)c1
InChIInChI=1S/C20H27NO/c1-14(2)13-22-19-9-7-6-8-18(19)12-21-20-16(4)10-15(3)11-17(20)5/h6-11,14,21H,12-13H2,1-5H3
InChIKeyQNTOWDWWZFSBGI-UHFFFAOYSA-N
XLogP5.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.44
LogP ≤ 55.26
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-[[2-(2-phenylethoxy)phenyl]methyl]aniline
CID 54796664
5-chloro-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
CID 39432274
2-methoxy-5-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
CID 39422604
N-[[2-(2-methylpropoxy)phenyl]methyl]pyridin-2-amine
CID 133271435
N-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-2,6-dimethylaniline
CID 39455831
4-ethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
CID 39384019
2,4-dichloro-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
CID 54795837
N-[[2-(3-methylbutoxy)phenyl]methyl]-2-(2-methylpropoxy)aniline
CID 54800105
1-[[2-(2-methylpropoxy)phenyl]methyl]-2-phenylhydrazine
CID 169385411
2,6-dibromo-4-methyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 43773543
2-[2-[(4-bromo-2,6-dimethylanilino)methyl]phenoxy]acetonitrile
CID 60944557

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline?
The IUPAC name of 2,4,6-trimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline (CID 39418717) is 2,4,6-trimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline.
What is the SMILES notation for 2,4,6-trimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline?
The canonical SMILES for 2,4,6-trimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline is Cc1cc(C)c(NCc2ccccc2OCC(C)C)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline?
The InChIKey is QNTOWDWWZFSBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-14(2)13-22-19-9-7-6-8-18(19)12-21-20-16(4)10-15(3)11-17(20)5/h6-11,14,21H,12-13H2,1-5H3.
What are the key properties of 2,4,6-trimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline?
2,4,6-trimethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline has a molecular weight of 297.44 g/mol, XLogP of 5.26, 6 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-methylpropoxy)phenyl]methyl]aniline is sourced from PubChem (CID 39418717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).