N-butan-2-yl-4-fluoro-2-propan-2-yloxyaniline

C13H20FNO — CID 115976287

IUPACN-butan-2-yl-4-fluoro-2-propan-2-yloxyaniline
SMILESCCC(C)Nc1ccc(F)cc1OC(C)C
InChIInChI=1S/C13H20FNO/c1-5-10(4)15-12-7-6-11(14)8-13(12)16-9(2)3/h6-10,15H,5H2,1-4H3
InChIKeyKOVOQOMEESCUKF-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.82
Rot. Bonds5

About N-butan-2-yl-4-fluoro-2-propan-2-yloxyaniline

N-butan-2-yl-4-fluoro-2-propan-2-yloxyaniline (PubChem CID 115976287) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-butan-2-yl-4-fluoro-2-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-butan-2-yl-4-fluoro-2-propan-2-yloxyaniline
PubChem CID115976287
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-butan-2-yl-4-fluoro-2-propan-2-yloxyaniline
SMILESCCC(C)Nc1ccc(F)cc1OC(C)C
InChIInChI=1S/C13H20FNO/c1-5-10(4)15-12-7-6-11(14)8-13(12)16-9(2)3/h6-10,15H,5H2,1-4H3
InChIKeyKOVOQOMEESCUKF-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-fluoro-2-methyl-1-propan-2-yloxybenzene
CID 58970665
2-(4-fluoro-2-methoxyanilino)butanamide
CID 62900802
(1S)-1-(4-fluoro-2-propan-2-yloxyphenyl)ethanamine
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N'-butan-2-yl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808384
4-fluoro-2-(methoxymethoxy)-1-propan-2-yloxybenzene
CID 165354855
tert-butyl N-[2-(2-ethoxy-4-fluoroanilino)propyl]carbamate
CID 103388683
2-[1-(2-ethoxy-4-fluoroanilino)ethyl]-5-fluorophenol
CID 63064811
N-[1-(2,6-difluorophenyl)ethyl]-2-ethoxy-4-fluoroaniline
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4-fluoro-2-iodo-N-pentan-2-ylaniline
CID 79769228

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-fluoro-2-propan-2-yloxyaniline?
The IUPAC name of N-butan-2-yl-4-fluoro-2-propan-2-yloxyaniline (CID 115976287) is N-butan-2-yl-4-fluoro-2-propan-2-yloxyaniline.
What is the SMILES notation for N-butan-2-yl-4-fluoro-2-propan-2-yloxyaniline?
The canonical SMILES for N-butan-2-yl-4-fluoro-2-propan-2-yloxyaniline is CCC(C)Nc1ccc(F)cc1OC(C)C.
What is the InChIKey of N-butan-2-yl-4-fluoro-2-propan-2-yloxyaniline?
The InChIKey is KOVOQOMEESCUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-5-10(4)15-12-7-6-11(14)8-13(12)16-9(2)3/h6-10,15H,5H2,1-4H3.
What are the key properties of N-butan-2-yl-4-fluoro-2-propan-2-yloxyaniline?
N-butan-2-yl-4-fluoro-2-propan-2-yloxyaniline has a molecular weight of 225.31 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-fluoro-2-propan-2-yloxyaniline is sourced from PubChem (CID 115976287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).