2-ethyl-N-[3-(4-ethylphenoxy)propyl]-6-methylaniline

C20H27NO — CID 82096293

IUPAC2-ethyl-N-[3-(4-ethylphenoxy)propyl]-6-methylaniline
SMILESCCc1ccc(OCCCNc2c(C)cccc2CC)cc1
InChIInChI=1S/C20H27NO/c1-4-17-10-12-19(13-11-17)22-15-7-14-21-20-16(3)8-6-9-18(20)5-2/h6,8-13,21H,4-5,7,14-15H2,1-3H3
InChIKeyCCDYWUAQZIQXBG-UHFFFAOYSA-N
MW297.44 g/mol
LogP5.00
Rot. Bonds8

About 2-ethyl-N-[3-(4-ethylphenoxy)propyl]-6-methylaniline

2-ethyl-N-[3-(4-ethylphenoxy)propyl]-6-methylaniline (PubChem CID 82096293) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-ethyl-N-[3-(4-ethylphenoxy)propyl]-6-methylaniline.

Molecular Properties

Compound Name2-ethyl-N-[3-(4-ethylphenoxy)propyl]-6-methylaniline
PubChem CID82096293
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name2-ethyl-N-[3-(4-ethylphenoxy)propyl]-6-methylaniline
SMILESCCc1ccc(OCCCNc2c(C)cccc2CC)cc1
InChIInChI=1S/C20H27NO/c1-4-17-10-12-19(13-11-17)22-15-7-14-21-20-16(3)8-6-9-18(20)5-2/h6,8-13,21H,4-5,7,14-15H2,1-3H3
InChIKeyCCDYWUAQZIQXBG-UHFFFAOYSA-N
XLogP5.00
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 ≤ 55.00
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

1-(2-ethyl-6-methylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972102
2-ethyl-6-methyl-N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]aniline
CID 54798412
N'-(2-ethyl-6-methylphenyl)-N-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54810064
2-ethyl-6-methyl-N-[4-(3-methylphenoxy)butyl]aniline
CID 82096296
N-[3-(4-ethylphenoxy)propyl]-2,6-difluoroaniline
CID 82096656
N-[2-(4-ethylphenoxy)ethyl]-2-methylaniline
CID 62572127
2-ethyl-6-methyl-N-(3-phenylpropyl)aniline
CID 39356754
2,6-dimethyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 54798215
N-(2,6-dimethylphenyl)-3-(4-ethylphenoxy)propanamide
CID 108795911
N-(2,6-diethylphenyl)-4-(4-ethylphenoxy)butanamide
CID 19174107
N-[3-(4-ethylphenoxy)propyl]-4-methylaniline
CID 82096367
2-ethyl-6-methyl-N-(4-propoxyphenyl)aniline
CID 139620226

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(4-ethylphenoxy)propyl]-6-methylaniline?
The IUPAC name of 2-ethyl-N-[3-(4-ethylphenoxy)propyl]-6-methylaniline (CID 82096293) is 2-ethyl-N-[3-(4-ethylphenoxy)propyl]-6-methylaniline.
What is the SMILES notation for 2-ethyl-N-[3-(4-ethylphenoxy)propyl]-6-methylaniline?
The canonical SMILES for 2-ethyl-N-[3-(4-ethylphenoxy)propyl]-6-methylaniline is CCc1ccc(OCCCNc2c(C)cccc2CC)cc1.
What is the InChIKey of 2-ethyl-N-[3-(4-ethylphenoxy)propyl]-6-methylaniline?
The InChIKey is CCDYWUAQZIQXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-4-17-10-12-19(13-11-17)22-15-7-14-21-20-16(3)8-6-9-18(20)5-2/h6,8-13,21H,4-5,7,14-15H2,1-3H3.
What are the key properties of 2-ethyl-N-[3-(4-ethylphenoxy)propyl]-6-methylaniline?
2-ethyl-N-[3-(4-ethylphenoxy)propyl]-6-methylaniline has a molecular weight of 297.44 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(4-ethylphenoxy)propyl]-6-methylaniline is sourced from PubChem (CID 82096293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).