2-ethyl-6-methyl-N-[4-(3-methylphenoxy)butyl]aniline

C20H27NO — CID 82096296

IUPAC2-ethyl-6-methyl-N-[4-(3-methylphenoxy)butyl]aniline
SMILESCCc1cccc(C)c1NCCCCOc1cccc(C)c1
InChIInChI=1S/C20H27NO/c1-4-18-11-8-10-17(3)20(18)21-13-5-6-14-22-19-12-7-9-16(2)15-19/h7-12,15,21H,4-6,13-14H2,1-3H3
InChIKeyVNENAOCXMBGDHB-UHFFFAOYSA-N
MW297.44 g/mol
LogP5.14
Rot. Bonds8

About 2-ethyl-6-methyl-N-[4-(3-methylphenoxy)butyl]aniline

2-ethyl-6-methyl-N-[4-(3-methylphenoxy)butyl]aniline (PubChem CID 82096296) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-[4-(3-methylphenoxy)butyl]aniline.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-[4-(3-methylphenoxy)butyl]aniline
PubChem CID82096296
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name2-ethyl-6-methyl-N-[4-(3-methylphenoxy)butyl]aniline
SMILESCCc1cccc(C)c1NCCCCOc1cccc(C)c1
InChIInChI=1S/C20H27NO/c1-4-18-11-8-10-17(3)20(18)21-13-5-6-14-22-19-12-7-9-16(2)15-19/h7-12,15,21H,4-6,13-14H2,1-3H3
InChIKeyVNENAOCXMBGDHB-UHFFFAOYSA-N
XLogP5.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.44
LogP ≤ 55.14
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

2,6-dimethyl-N-[3-(3-methylphenoxy)propyl]aniline
CID 82096121
2-ethyl-N-[3-(4-ethylphenoxy)propyl]-6-methylaniline
CID 82096293
2,3-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline
CID 82095907
3,4-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline
CID 82095952
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
N'-(2-ethyl-6-methylphenyl)-N-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54810064
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
2-chloro-4,6-dimethyl-N-[3-(3-methylphenoxy)propyl]aniline
CID 82095882
N-butyl-6-(3-methylphenoxy)hexan-1-amine
CID 2249508
N'-(2-ethyl-6-methylphenyl)-N-[3-(2-methylpropoxy)phenyl]ethane-1,2-diamine
CID 54810109
methyl 2-[4-(3,5-dimethylphenoxy)butylamino]-3-methylbenzoate
CID 18803506
2-ethyl-6-methyl-N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]aniline
CID 54798412

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-[4-(3-methylphenoxy)butyl]aniline?
The IUPAC name of 2-ethyl-6-methyl-N-[4-(3-methylphenoxy)butyl]aniline (CID 82096296) is 2-ethyl-6-methyl-N-[4-(3-methylphenoxy)butyl]aniline.
What is the SMILES notation for 2-ethyl-6-methyl-N-[4-(3-methylphenoxy)butyl]aniline?
The canonical SMILES for 2-ethyl-6-methyl-N-[4-(3-methylphenoxy)butyl]aniline is CCc1cccc(C)c1NCCCCOc1cccc(C)c1.
What is the InChIKey of 2-ethyl-6-methyl-N-[4-(3-methylphenoxy)butyl]aniline?
The InChIKey is VNENAOCXMBGDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-4-18-11-8-10-17(3)20(18)21-13-5-6-14-22-19-12-7-9-16(2)15-19/h7-12,15,21H,4-6,13-14H2,1-3H3.
What are the key properties of 2-ethyl-6-methyl-N-[4-(3-methylphenoxy)butyl]aniline?
2-ethyl-6-methyl-N-[4-(3-methylphenoxy)butyl]aniline has a molecular weight of 297.44 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-N-[4-(3-methylphenoxy)butyl]aniline is sourced from PubChem (CID 82096296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).