2-ethyl-2-(3-fluoroanilino)-4-methylhexan-1-ol

C15H24FNO — CID 61047907

IUPAC2-ethyl-2-(3-fluoroanilino)-4-methylhexan-1-ol
SMILESCCC(C)CC(CC)(CO)Nc1cccc(F)c1
InChIInChI=1S/C15H24FNO/c1-4-12(3)10-15(5-2,11-18)17-14-8-6-7-13(16)9-14/h6-9,12,17-18H,4-5,10-11H2,1-3H3
InChIKeyBYLVBVJIGBKISY-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.81
Rot. Bonds7

About 2-ethyl-2-(3-fluoroanilino)-4-methylhexan-1-ol

2-ethyl-2-(3-fluoroanilino)-4-methylhexan-1-ol (PubChem CID 61047907) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 2-ethyl-2-(3-fluoroanilino)-4-methylhexan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(3-fluoroanilino)-4-methylhexan-1-ol
PubChem CID61047907
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name2-ethyl-2-(3-fluoroanilino)-4-methylhexan-1-ol
SMILESCCC(C)CC(CC)(CO)Nc1cccc(F)c1
InChIInChI=1S/C15H24FNO/c1-4-12(3)10-15(5-2,11-18)17-14-8-6-7-13(16)9-14/h6-9,12,17-18H,4-5,10-11H2,1-3H3
InChIKeyBYLVBVJIGBKISY-UHFFFAOYSA-N
XLogP3.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3-fluoroanilino)-4-methylhexan-1-ol?
The IUPAC name of 2-ethyl-2-(3-fluoroanilino)-4-methylhexan-1-ol (CID 61047907) is 2-ethyl-2-(3-fluoroanilino)-4-methylhexan-1-ol.
What is the SMILES notation for 2-ethyl-2-(3-fluoroanilino)-4-methylhexan-1-ol?
The canonical SMILES for 2-ethyl-2-(3-fluoroanilino)-4-methylhexan-1-ol is CCC(C)CC(CC)(CO)Nc1cccc(F)c1.
What is the InChIKey of 2-ethyl-2-(3-fluoroanilino)-4-methylhexan-1-ol?
The InChIKey is BYLVBVJIGBKISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-4-12(3)10-15(5-2,11-18)17-14-8-6-7-13(16)9-14/h6-9,12,17-18H,4-5,10-11H2,1-3H3.
What are the key properties of 2-ethyl-2-(3-fluoroanilino)-4-methylhexan-1-ol?
2-ethyl-2-(3-fluoroanilino)-4-methylhexan-1-ol has a molecular weight of 253.36 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3-fluoroanilino)-4-methylhexan-1-ol is sourced from PubChem (CID 61047907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).