5-tert-butyl-2-methoxy-N-pentan-2-ylaniline

C16H27NO — CID 43681220

IUPAC5-tert-butyl-2-methoxy-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C16H27NO/c1-7-8-12(2)17-14-11-13(16(3,4)5)9-10-15(14)18-6/h9-12,17H,7-8H2,1-6H3
InChIKeyWKURFBNTKXUIKO-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.59
Rot. Bonds5

About 5-tert-butyl-2-methoxy-N-pentan-2-ylaniline

5-tert-butyl-2-methoxy-N-pentan-2-ylaniline (PubChem CID 43681220) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 5-tert-butyl-2-methoxy-N-pentan-2-ylaniline.

Molecular Properties

Compound Name5-tert-butyl-2-methoxy-N-pentan-2-ylaniline
PubChem CID43681220
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name5-tert-butyl-2-methoxy-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C16H27NO/c1-7-8-12(2)17-14-11-13(16(3,4)5)9-10-15(14)18-6/h9-12,17H,7-8H2,1-6H3
InChIKeyWKURFBNTKXUIKO-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(5-tert-butyl-2-methoxyphenyl)propane-1,2-diamine
CID 115196249
2-methoxy-5-nitro-N-pentan-2-ylaniline
CID 43717779
N-hexan-2-yl-2-methoxy-5-methylaniline
CID 43761107
2,5-dimethoxy-N-octan-2-ylaniline
CID 43129776
2-(aminomethyl)-N-(5-tert-butyl-2-methoxyphenyl)pentanamide
CID 65225620
(2R)-2-(5-tert-butyl-2-methoxyanilino)-N,N-dimethylpropanamide
CID 9044303
N-(5-tert-butyl-2-methoxyphenyl)-2-phenylpentanamide
CID 4836017
N-(5-tert-butyl-2-methoxyphenyl)ethanesulfonamide
CID 6470554
3-tert-butyl-N-pentan-2-ylaniline
CID 175117578
N'-(5-tert-butyl-2-methoxyphenyl)ethane-1,2-diamine
CID 96672535
2-amino-N-(5-tert-butyl-2-methoxyphenyl)hexanamide
CID 60852777
5-chloro-2-methoxy-N-(5-methylhexan-2-yl)aniline
CID 43100580

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methoxy-N-pentan-2-ylaniline?
The IUPAC name of 5-tert-butyl-2-methoxy-N-pentan-2-ylaniline (CID 43681220) is 5-tert-butyl-2-methoxy-N-pentan-2-ylaniline.
What is the SMILES notation for 5-tert-butyl-2-methoxy-N-pentan-2-ylaniline?
The canonical SMILES for 5-tert-butyl-2-methoxy-N-pentan-2-ylaniline is CCCC(C)Nc1cc(C(C)(C)C)ccc1OC.
What is the InChIKey of 5-tert-butyl-2-methoxy-N-pentan-2-ylaniline?
The InChIKey is WKURFBNTKXUIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-7-8-12(2)17-14-11-13(16(3,4)5)9-10-15(14)18-6/h9-12,17H,7-8H2,1-6H3.
What are the key properties of 5-tert-butyl-2-methoxy-N-pentan-2-ylaniline?
5-tert-butyl-2-methoxy-N-pentan-2-ylaniline has a molecular weight of 249.40 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methoxy-N-pentan-2-ylaniline is sourced from PubChem (CID 43681220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).