2-ethyl-6-methyl-N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]aniline

C22H31NO — CID 54798412

IUPAC2-ethyl-6-methyl-N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]aniline
SMILESCCc1cccc(C)c1NCCOc1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C22H31NO/c1-6-18-10-8-9-17(3)21(18)23-15-16-24-20-13-11-19(12-14-20)22(4,5)7-2/h8-14,23H,6-7,15-16H2,1-5H3
InChIKeySWFCPHXMSQUADY-UHFFFAOYSA-N
MW325.50 g/mol
LogP5.74
Rot. Bonds8

About 2-ethyl-6-methyl-N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]aniline

2-ethyl-6-methyl-N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]aniline (PubChem CID 54798412) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]aniline.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]aniline
PubChem CID54798412
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC Name2-ethyl-6-methyl-N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]aniline
SMILESCCc1cccc(C)c1NCCOc1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C22H31NO/c1-6-18-10-8-9-17(3)21(18)23-15-16-24-20-13-11-19(12-14-20)22(4,5)7-2/h8-14,23H,6-7,15-16H2,1-5H3
InChIKeySWFCPHXMSQUADY-UHFFFAOYSA-N
XLogP5.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 55.74
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-ethyl-N-[3-(4-ethylphenoxy)propyl]-6-methylaniline
CID 82096293
N'-(2-ethyl-6-methylphenyl)-N-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54810064
2,6-dimethyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 54798215
2-ethyl-6-methyl-N-[4-(3-methylphenoxy)butyl]aniline
CID 82096296
3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylpropan-1-amine
CID 29015611
2-ethyl-6-methyl-N-(4-propoxyphenyl)aniline
CID 139620226
1-(2-ethyl-6-methylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972102
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-3-propan-2-yloxyaniline
CID 54802909
N'-(2-ethyl-6-methylphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54809654
N-[2-(4-tert-butylphenoxy)ethyl]-2,3-dimethylaniline
CID 54797775
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-(2-methylpropoxy)aniline
CID 54799086
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]heptan-1-amine
CID 54797456

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]aniline?
The IUPAC name of 2-ethyl-6-methyl-N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]aniline (CID 54798412) is 2-ethyl-6-methyl-N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]aniline.
What is the SMILES notation for 2-ethyl-6-methyl-N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]aniline?
The canonical SMILES for 2-ethyl-6-methyl-N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]aniline is CCc1cccc(C)c1NCCOc1ccc(C(C)(C)CC)cc1.
What is the InChIKey of 2-ethyl-6-methyl-N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]aniline?
The InChIKey is SWFCPHXMSQUADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO/c1-6-18-10-8-9-17(3)21(18)23-15-16-24-20-13-11-19(12-14-20)22(4,5)7-2/h8-14,23H,6-7,15-16H2,1-5H3.
What are the key properties of 2-ethyl-6-methyl-N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]aniline?
2-ethyl-6-methyl-N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]aniline has a molecular weight of 325.50 g/mol, XLogP of 5.74, 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-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]aniline is sourced from PubChem (CID 54798412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).