2-(2-fluoroanilino)-3,5-dimethylhexan-1-ol

C14H22FNO — CID 114201083

IUPAC2-(2-fluoroanilino)-3,5-dimethylhexan-1-ol
SMILESCC(C)CC(C)C(CO)Nc1ccccc1F
InChIInChI=1S/C14H22FNO/c1-10(2)8-11(3)14(9-17)16-13-7-5-4-6-12(13)15/h4-7,10-11,14,16-17H,8-9H2,1-3H3
InChIKeyOCDJYDYIESXSJJ-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.28
Rot. Bonds6

About 2-(2-fluoroanilino)-3,5-dimethylhexan-1-ol

2-(2-fluoroanilino)-3,5-dimethylhexan-1-ol (PubChem CID 114201083) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-3,5-dimethylhexan-1-ol.

Molecular Properties

Compound Name2-(2-fluoroanilino)-3,5-dimethylhexan-1-ol
PubChem CID114201083
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name2-(2-fluoroanilino)-3,5-dimethylhexan-1-ol
SMILESCC(C)CC(C)C(CO)Nc1ccccc1F
InChIInChI=1S/C14H22FNO/c1-10(2)8-11(3)14(9-17)16-13-7-5-4-6-12(13)15/h4-7,10-11,14,16-17H,8-9H2,1-3H3
InChIKeyOCDJYDYIESXSJJ-UHFFFAOYSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-fluoro-N-(3-methyl-1-phenylbutyl)aniline
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4-(2-fluoroanilino)pentan-1-ol
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(2S)-2-[2-(aminomethyl)-3-fluoroanilino]-3-methylbutan-1-ol
CID 79517811
N-(2-fluorophenyl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 79248992
2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893
2-(4-chlorophenyl)-2-(2-fluoroanilino)ethanol
CID 61050485
N-bromo-2-fluoroaniline
CID 53446576
N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 65378148
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CID 63453830

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-3,5-dimethylhexan-1-ol?
The IUPAC name of 2-(2-fluoroanilino)-3,5-dimethylhexan-1-ol (CID 114201083) is 2-(2-fluoroanilino)-3,5-dimethylhexan-1-ol.
What is the SMILES notation for 2-(2-fluoroanilino)-3,5-dimethylhexan-1-ol?
The canonical SMILES for 2-(2-fluoroanilino)-3,5-dimethylhexan-1-ol is CC(C)CC(C)C(CO)Nc1ccccc1F.
What is the InChIKey of 2-(2-fluoroanilino)-3,5-dimethylhexan-1-ol?
The InChIKey is OCDJYDYIESXSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-10(2)8-11(3)14(9-17)16-13-7-5-4-6-12(13)15/h4-7,10-11,14,16-17H,8-9H2,1-3H3.
What are the key properties of 2-(2-fluoroanilino)-3,5-dimethylhexan-1-ol?
2-(2-fluoroanilino)-3,5-dimethylhexan-1-ol has a molecular weight of 239.33 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-3,5-dimethylhexan-1-ol is sourced from PubChem (CID 114201083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).