2-(2-fluoroanilino)-3-methylpentan-1-ol

C12H18FNO — CID 61319749

IUPAC2-(2-fluoroanilino)-3-methylpentan-1-ol
SMILESCCC(C)C(CO)Nc1ccccc1F
InChIInChI=1S/C12H18FNO/c1-3-9(2)12(8-15)14-11-7-5-4-6-10(11)13/h4-7,9,12,14-15H,3,8H2,1-2H3
InChIKeyDFAMIRMMLZFYLZ-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.64
Rot. Bonds5

About 2-(2-fluoroanilino)-3-methylpentan-1-ol

2-(2-fluoroanilino)-3-methylpentan-1-ol (PubChem CID 61319749) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-3-methylpentan-1-ol.

Molecular Properties

Compound Name2-(2-fluoroanilino)-3-methylpentan-1-ol
PubChem CID61319749
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-(2-fluoroanilino)-3-methylpentan-1-ol
SMILESCCC(C)C(CO)Nc1ccccc1F
InChIInChI=1S/C12H18FNO/c1-3-9(2)12(8-15)14-11-7-5-4-6-10(11)13/h4-7,9,12,14-15H,3,8H2,1-2H3
InChIKeyDFAMIRMMLZFYLZ-UHFFFAOYSA-N
XLogP2.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoroanilino)-3,5-dimethylhexan-1-ol
CID 114201083
2-(2-fluoroanilino)-3-methylbutan-1-ol
CID 61317704
2-fluoro-N-[(3R)-2-methylpentan-3-yl]aniline
CID 93283017
2-(2-fluoroanilino)butanamide
CID 60995502
4-(2-fluoroanilino)pentan-1-ol
CID 115975993
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
2-amino-N-(2-fluorophenyl)-3-methylpentanamide
CID 24698442
(2S)-2-[2-(aminomethyl)-3-fluoroanilino]-3-methylbutan-1-ol
CID 79517811
N-butan-2-yl-2-(2-fluoroanilino)propanamide
CID 43113405
N-(1-ethylsulfonylpropan-2-yl)-2-fluoroaniline
CID 115921635
N-(2-fluorophenyl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 79248992
N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
CID 43194923

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-3-methylpentan-1-ol?
The IUPAC name of 2-(2-fluoroanilino)-3-methylpentan-1-ol (CID 61319749) is 2-(2-fluoroanilino)-3-methylpentan-1-ol.
What is the SMILES notation for 2-(2-fluoroanilino)-3-methylpentan-1-ol?
The canonical SMILES for 2-(2-fluoroanilino)-3-methylpentan-1-ol is CCC(C)C(CO)Nc1ccccc1F.
What is the InChIKey of 2-(2-fluoroanilino)-3-methylpentan-1-ol?
The InChIKey is DFAMIRMMLZFYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-3-9(2)12(8-15)14-11-7-5-4-6-10(11)13/h4-7,9,12,14-15H,3,8H2,1-2H3.
What are the key properties of 2-(2-fluoroanilino)-3-methylpentan-1-ol?
2-(2-fluoroanilino)-3-methylpentan-1-ol has a molecular weight of 211.28 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-3-methylpentan-1-ol is sourced from PubChem (CID 61319749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).