4-(2-ethylhexoxy)-N-methylaniline

C15H25NO — CID 63423828

IUPAC4-(2-ethylhexoxy)-N-methylaniline
SMILESCCCCC(CC)COc1ccc(NC)cc1
InChIInChI=1S/C15H25NO/c1-4-6-7-13(5-2)12-17-15-10-8-14(16-3)9-11-15/h8-11,13,16H,4-7,12H2,1-3H3
InChIKeyYDVKKGFTFWOVKV-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.32
Rot. Bonds8

About 4-(2-ethylhexoxy)-N-methylaniline

4-(2-ethylhexoxy)-N-methylaniline (PubChem CID 63423828) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-(2-ethylhexoxy)-N-methylaniline.

Molecular Properties

Compound Name4-(2-ethylhexoxy)-N-methylaniline
PubChem CID63423828
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-(2-ethylhexoxy)-N-methylaniline
SMILESCCCCC(CC)COc1ccc(NC)cc1
InChIInChI=1S/C15H25NO/c1-4-6-7-13(5-2)12-17-15-10-8-14(16-3)9-11-15/h8-11,13,16H,4-7,12H2,1-3H3
InChIKeyYDVKKGFTFWOVKV-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
1-(2-ethylhexoxy)-4-(sulfinoamino)benzene
CID 57062457
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
N-(4-bromophenyl)-4-[(2R)-2-ethylhexoxy]-N-[4-[(2R)-2-ethylhexoxy]phenyl]aniline
CID 98047352
N-[4-(2-ethylhexoxy)phenyl]-4-nitroaniline
CID 59215593
4-(2-ethylhexoxy)benzenediazonium
CID 101390113
ethane;1-(2-ethylhexoxy)-4-methylbenzene;prop-1-ene
CID 170619939
2-[4-(2-ethylhexoxy)phenoxy]-N-(4-fluorophenyl)acetamide
CID 18823969
2,6,9,10-tetrakis(2-ethylhexoxy)anthracene
CID 139930225
[4-(2-ethylheptoxy)phenyl]methanol
CID 142083933
1-(2-ethylhexoxy)-4-(2-methoxyethenyl)benzene
CID 91115860
1-(2-ethylhexoxy)-4-[4-[4-[4-(2-ethylhexoxy)phenyl]butylperoxy]butyl]benzene
CID 175496106

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylhexoxy)-N-methylaniline?
The IUPAC name of 4-(2-ethylhexoxy)-N-methylaniline (CID 63423828) is 4-(2-ethylhexoxy)-N-methylaniline.
What is the SMILES notation for 4-(2-ethylhexoxy)-N-methylaniline?
The canonical SMILES for 4-(2-ethylhexoxy)-N-methylaniline is CCCCC(CC)COc1ccc(NC)cc1.
What is the InChIKey of 4-(2-ethylhexoxy)-N-methylaniline?
The InChIKey is YDVKKGFTFWOVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-6-7-13(5-2)12-17-15-10-8-14(16-3)9-11-15/h8-11,13,16H,4-7,12H2,1-3H3.
What are the key properties of 4-(2-ethylhexoxy)-N-methylaniline?
4-(2-ethylhexoxy)-N-methylaniline has a molecular weight of 235.37 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylhexoxy)-N-methylaniline is sourced from PubChem (CID 63423828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).