N-ethyl-N-[2-(2-methylphenoxy)butyl]aniline

C19H25NO — CID 70632478

IUPACN-ethyl-N-[2-(2-methylphenoxy)butyl]aniline
SMILESCCC(CN(CC)c1ccccc1)Oc1ccccc1C
InChIInChI=1S/C19H25NO/c1-4-18(21-19-14-10-9-11-16(19)3)15-20(5-2)17-12-7-6-8-13-17/h6-14,18H,4-5,15H2,1-3H3
InChIKeyXSXMDVBCXIEDLJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.68
Rot. Bonds7

About N-ethyl-N-[2-(2-methylphenoxy)butyl]aniline

N-ethyl-N-[2-(2-methylphenoxy)butyl]aniline (PubChem CID 70632478) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-ethyl-N-[2-(2-methylphenoxy)butyl]aniline.

Molecular Properties

Compound NameN-ethyl-N-[2-(2-methylphenoxy)butyl]aniline
PubChem CID70632478
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-ethyl-N-[2-(2-methylphenoxy)butyl]aniline
SMILESCCC(CN(CC)c1ccccc1)Oc1ccccc1C
InChIInChI=1S/C19H25NO/c1-4-18(21-19-14-10-9-11-16(19)3)15-20(5-2)17-12-7-6-8-13-17/h6-14,18H,4-5,15H2,1-3H3
InChIKeyXSXMDVBCXIEDLJ-UHFFFAOYSA-N
XLogP4.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[2-(2-ethylphenoxy)butyl]aniline
CID 70633070
N-[2-(2,4-dichlorophenoxy)butyl]-N-ethylaniline
CID 70632627
N-ethyl-N-[2-(4-phenylphenoxy)butyl]aniline
CID 70633219
N-ethyl-N-[2-(4-ethylphenoxy)butyl]aniline
CID 70632928
1-(N-ethylanilino)butan-2-yl (2-ethylphenyl) carbonate
CID 70632038
N-butan-2-yl-2-(2-methylphenoxy)butan-1-amine
CID 46736333
N,N-diethylaniline
CID 7061
1,2-dimethyl-3-pentan-3-yloxybenzene
CID 103432359
1,1,3,3-tetramethyl-2-[2-(2-methylphenoxy)butyl]guanidine;hydroiodide
CID 111800317
N-[2-(2-methylphenoxy)butyl]-2-propan-2-ylaniline
CID 54800392
N-[2-(bromomethyl)butyl]-N-ethylaniline
CID 65000533
2-amino-3-(N-ethylanilino)propan-1-ol
CID 64796105

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(2-methylphenoxy)butyl]aniline?
The IUPAC name of N-ethyl-N-[2-(2-methylphenoxy)butyl]aniline (CID 70632478) is N-ethyl-N-[2-(2-methylphenoxy)butyl]aniline.
What is the SMILES notation for N-ethyl-N-[2-(2-methylphenoxy)butyl]aniline?
The canonical SMILES for N-ethyl-N-[2-(2-methylphenoxy)butyl]aniline is CCC(CN(CC)c1ccccc1)Oc1ccccc1C.
What is the InChIKey of N-ethyl-N-[2-(2-methylphenoxy)butyl]aniline?
The InChIKey is XSXMDVBCXIEDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-18(21-19-14-10-9-11-16(19)3)15-20(5-2)17-12-7-6-8-13-17/h6-14,18H,4-5,15H2,1-3H3.
What are the key properties of N-ethyl-N-[2-(2-methylphenoxy)butyl]aniline?
N-ethyl-N-[2-(2-methylphenoxy)butyl]aniline has a molecular weight of 283.42 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(2-methylphenoxy)butyl]aniline is sourced from PubChem (CID 70632478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).