N-[(4-butoxyphenyl)methyl]-2,4,6-trimethylaniline

C20H27NO — CID 39418727

IUPACN-[(4-butoxyphenyl)methyl]-2,4,6-trimethylaniline
SMILESCCCCOc1ccc(CNc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C20H27NO/c1-5-6-11-22-19-9-7-18(8-10-19)14-21-20-16(3)12-15(2)13-17(20)4/h7-10,12-13,21H,5-6,11,14H2,1-4H3
InChIKeyUASHBQXXMIFUHT-UHFFFAOYSA-N
MW297.44 g/mol
LogP5.40
Rot. Bonds7

About N-[(4-butoxyphenyl)methyl]-2,4,6-trimethylaniline

N-[(4-butoxyphenyl)methyl]-2,4,6-trimethylaniline (PubChem CID 39418727) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[(4-butoxyphenyl)methyl]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[(4-butoxyphenyl)methyl]-2,4,6-trimethylaniline
PubChem CID39418727
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC NameN-[(4-butoxyphenyl)methyl]-2,4,6-trimethylaniline
SMILESCCCCOc1ccc(CNc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C20H27NO/c1-5-6-11-22-19-9-7-18(8-10-19)14-21-20-16(3)12-15(2)13-17(20)4/h7-10,12-13,21H,5-6,11,14H2,1-4H3
InChIKeyUASHBQXXMIFUHT-UHFFFAOYSA-N
XLogP5.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.44
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-butoxyphenyl)methyl]-2,6-dimethylaniline
CID 39384036
2,6-dibromo-N-[(4-butoxyphenyl)methyl]aniline
CID 107596913
N-[(4-butoxyphenyl)methyl]-2-methoxy-5-methylaniline
CID 39422641
N-[(4-butoxyphenyl)methyl]-4-hexoxyaniline
CID 54798833
4-heptoxy-N-[(4-heptoxyphenyl)methyl]aniline
CID 54799653
N-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline
CID 39368420
N-[(4-butoxyphenyl)methyl]-4-iodoaniline
CID 28975640
4-pentoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 4935004
2,4,6-trimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54796665
N-[(4-butoxyphenyl)methyl]-4-(2-ethoxyethoxy)aniline
CID 54801022
2,4,6-trimethyl-N-[[3-(3-methylbutoxy)phenyl]methyl]aniline
CID 54796633
N-[(4-butoxyphenyl)methyl]-2,5-dimethoxyaniline
CID 54797069

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxyphenyl)methyl]-2,4,6-trimethylaniline?
The IUPAC name of N-[(4-butoxyphenyl)methyl]-2,4,6-trimethylaniline (CID 39418727) is N-[(4-butoxyphenyl)methyl]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[(4-butoxyphenyl)methyl]-2,4,6-trimethylaniline?
The canonical SMILES for N-[(4-butoxyphenyl)methyl]-2,4,6-trimethylaniline is CCCCOc1ccc(CNc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of N-[(4-butoxyphenyl)methyl]-2,4,6-trimethylaniline?
The InChIKey is UASHBQXXMIFUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-5-6-11-22-19-9-7-18(8-10-19)14-21-20-16(3)12-15(2)13-17(20)4/h7-10,12-13,21H,5-6,11,14H2,1-4H3.
What are the key properties of N-[(4-butoxyphenyl)methyl]-2,4,6-trimethylaniline?
N-[(4-butoxyphenyl)methyl]-2,4,6-trimethylaniline has a molecular weight of 297.44 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxyphenyl)methyl]-2,4,6-trimethylaniline is sourced from PubChem (CID 39418727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).