1-amino-4-(4-fluorophenyl)sulfanyl-2-methylpentan-2-ol

C12H18FNOS — CID 64815079

IUPAC1-amino-4-(4-fluorophenyl)sulfanyl-2-methylpentan-2-ol
SMILESCC(CC(C)(O)CN)Sc1ccc(F)cc1
InChIInChI=1S/C12H18FNOS/c1-9(7-12(2,15)8-14)16-11-5-3-10(13)4-6-11/h3-6,9,15H,7-8,14H2,1-2H3
InChIKeyOTAQEEMPQSXCBD-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.41
Rot. Bonds5

About 1-amino-4-(4-fluorophenyl)sulfanyl-2-methylpentan-2-ol

1-amino-4-(4-fluorophenyl)sulfanyl-2-methylpentan-2-ol (PubChem CID 64815079) has the molecular formula C12H18FNOS and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-amino-4-(4-fluorophenyl)sulfanyl-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-amino-4-(4-fluorophenyl)sulfanyl-2-methylpentan-2-ol
PubChem CID64815079
Molecular FormulaC12H18FNOS
Molecular Weight243.35 g/mol
Exact Mass243.11
IUPAC Name1-amino-4-(4-fluorophenyl)sulfanyl-2-methylpentan-2-ol
SMILESCC(CC(C)(O)CN)Sc1ccc(F)cc1
InChIInChI=1S/C12H18FNOS/c1-9(7-12(2,15)8-14)16-11-5-3-10(13)4-6-11/h3-6,9,15H,7-8,14H2,1-2H3
InChIKeyOTAQEEMPQSXCBD-UHFFFAOYSA-N
XLogP2.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-Fluorophenyl)sulfanylmethyl]-3-methoxypentan-1-amine
CID 141983694
2-Amino-6-(4-fluorophenyl)sulfanyl-2-methylhexan-1-ol
CID 64805757
2-Amino-4-(2-fluorophenyl)sulfanyl-2-methylpentan-1-ol
CID 64806361
2-Amino-5-(4-fluorophenyl)sulfanyl-2-methylpentan-1-ol
CID 64806381
2-Amino-6-(2-fluorophenyl)sulfanyl-2-methylhexan-1-ol
CID 64806999
2-Amino-5-(2-fluorophenyl)sulfanyl-2-methylpentan-1-ol
CID 64807610
2-Amino-4-(2,5-difluorophenyl)sulfanyl-2-methylpentan-1-ol
CID 64807661
2-Amino-6-(2,5-difluorophenyl)sulfanyl-2-methylhexan-1-ol
CID 64807666
2-Amino-5-(2,5-difluorophenyl)sulfanyl-2-methylpentan-1-ol
CID 64807671
2-Amino-4-(4-fluorophenyl)sulfanyl-2-methylpentan-1-ol
CID 64808466
1-Amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 64812155
1-Amino-6-(2-fluorophenyl)sulfanyl-2-methylhexan-2-ol
CID 64812156

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(4-fluorophenyl)sulfanyl-2-methylpentan-2-ol?
The IUPAC name of 1-amino-4-(4-fluorophenyl)sulfanyl-2-methylpentan-2-ol (CID 64815079) is 1-amino-4-(4-fluorophenyl)sulfanyl-2-methylpentan-2-ol.
What is the SMILES notation for 1-amino-4-(4-fluorophenyl)sulfanyl-2-methylpentan-2-ol?
The canonical SMILES for 1-amino-4-(4-fluorophenyl)sulfanyl-2-methylpentan-2-ol is CC(CC(C)(O)CN)Sc1ccc(F)cc1.
What is the InChIKey of 1-amino-4-(4-fluorophenyl)sulfanyl-2-methylpentan-2-ol?
The InChIKey is OTAQEEMPQSXCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNOS/c1-9(7-12(2,15)8-14)16-11-5-3-10(13)4-6-11/h3-6,9,15H,7-8,14H2,1-2H3.
What are the key properties of 1-amino-4-(4-fluorophenyl)sulfanyl-2-methylpentan-2-ol?
1-amino-4-(4-fluorophenyl)sulfanyl-2-methylpentan-2-ol has a molecular weight of 243.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(4-fluorophenyl)sulfanyl-2-methylpentan-2-ol is sourced from PubChem (CID 64815079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).