3-butan-2-yloxy-N-(2-naphthalen-1-ylethyl)aniline

C22H25NO — CID 54802681

IUPAC3-butan-2-yloxy-N-(2-naphthalen-1-ylethyl)aniline
SMILESCCC(C)Oc1cccc(NCCc2cccc3ccccc23)c1
InChIInChI=1S/C22H25NO/c1-3-17(2)24-21-12-7-11-20(16-21)23-15-14-19-10-6-9-18-8-4-5-13-22(18)19/h4-13,16-17,23H,3,14-15H2,1-2H3
InChIKeyZXGWLCBYEKPOCC-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.67
Rot. Bonds7

About 3-butan-2-yloxy-N-(2-naphthalen-1-ylethyl)aniline

3-butan-2-yloxy-N-(2-naphthalen-1-ylethyl)aniline (PubChem CID 54802681) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-(2-naphthalen-1-ylethyl)aniline.

Molecular Properties

Compound Name3-butan-2-yloxy-N-(2-naphthalen-1-ylethyl)aniline
PubChem CID54802681
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name3-butan-2-yloxy-N-(2-naphthalen-1-ylethyl)aniline
SMILESCCC(C)Oc1cccc(NCCc2cccc3ccccc23)c1
InChIInChI=1S/C22H25NO/c1-3-17(2)24-21-12-7-11-20(16-21)23-15-14-19-10-6-9-18-8-4-5-13-22(18)19/h4-13,16-17,23H,3,14-15H2,1-2H3
InChIKeyZXGWLCBYEKPOCC-UHFFFAOYSA-N
XLogP5.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butan-2-yloxy-N-[2-(2-methylphenyl)ethyl]aniline
CID 54803067
2-(3-butan-2-yloxyanilino)ethanol
CID 62328235
3-butan-2-yloxy-N-(3-phenylpropyl)aniline
CID 54802732
3-butan-2-yloxy-N-(3,3,3-trifluoropropyl)aniline
CID 64554822
N-[2-(3-butan-2-yloxyanilino)ethyl]acetamide
CID 107529384
3-(3-butan-2-yloxyanilino)-N-ethylpropanamide
CID 62327713
ethyl 3-(3-butan-2-yloxyanilino)propanoate
CID 62327020
3-butan-2-yloxy-N-[2-(4-methylphenoxy)ethyl]aniline
CID 54802754
3-butan-2-yloxy-N-[(2,6-dichlorophenyl)methyl]aniline
CID 63478157
2-(3-butan-2-yloxyanilino)acetic acid
CID 62328764
3-butan-2-yloxy-N-[(5-chloro-2-fluorophenyl)methyl]aniline
CID 114842274
2-[(3-butan-2-yloxyanilino)methyl]-6-chlorophenol
CID 115951671

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-(2-naphthalen-1-ylethyl)aniline?
The IUPAC name of 3-butan-2-yloxy-N-(2-naphthalen-1-ylethyl)aniline (CID 54802681) is 3-butan-2-yloxy-N-(2-naphthalen-1-ylethyl)aniline.
What is the SMILES notation for 3-butan-2-yloxy-N-(2-naphthalen-1-ylethyl)aniline?
The canonical SMILES for 3-butan-2-yloxy-N-(2-naphthalen-1-ylethyl)aniline is CCC(C)Oc1cccc(NCCc2cccc3ccccc23)c1.
What is the InChIKey of 3-butan-2-yloxy-N-(2-naphthalen-1-ylethyl)aniline?
The InChIKey is ZXGWLCBYEKPOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-3-17(2)24-21-12-7-11-20(16-21)23-15-14-19-10-6-9-18-8-4-5-13-22(18)19/h4-13,16-17,23H,3,14-15H2,1-2H3.
What are the key properties of 3-butan-2-yloxy-N-(2-naphthalen-1-ylethyl)aniline?
3-butan-2-yloxy-N-(2-naphthalen-1-ylethyl)aniline has a molecular weight of 319.45 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-(2-naphthalen-1-ylethyl)aniline is sourced from PubChem (CID 54802681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).