6-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol

C16H26FNOS — CID 64807219

IUPAC6-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCSc1ccc(F)cc1
InChIInChI=1S/C16H26FNOS/c1-13(2)18-16(3,12-19)10-4-5-11-20-15-8-6-14(17)7-9-15/h6-9,13,18-19H,4-5,10-12H2,1-3H3
InChIKeyIGZGHSCBQYTBRY-UHFFFAOYSA-N
MW299.45 g/mol
LogP3.84
Rot. Bonds9

About 6-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol

6-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol (PubChem CID 64807219) has the molecular formula C16H26FNOS and a molecular weight of 299.45 g/mol. Its IUPAC name is 6-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol
PubChem CID64807219
Molecular FormulaC16H26FNOS
Molecular Weight299.45 g/mol
Exact Mass299.17
IUPAC Name6-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCSc1ccc(F)cc1
InChIInChI=1S/C16H26FNOS/c1-13(2)18-16(3,12-19)10-4-5-11-20-15-8-6-14(17)7-9-15/h6-9,13,18-19H,4-5,10-12H2,1-3H3
InChIKeyIGZGHSCBQYTBRY-UHFFFAOYSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-(4-methylphenyl)sulfanyl-2-(propan-2-ylamino)pentan-1-ol
CID 64805318
5-(N-ethyl-4-fluoroanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64790530
5-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64810971
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64821321
2-methyl-6-(3-methylbutylsulfanyl)-2-(propan-2-ylamino)hexan-1-ol
CID 107764918
5-(2-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64807414
6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64804186
6-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64809744
6-(3-methoxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64807379
2-methyl-2-(propan-2-ylamino)-5-thiophen-2-ylsulfanylpentan-1-ol
CID 64820619
6-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylhexan-1-ol
CID 64820158
5-(4-fluorophenyl)sulfanylpentan-1-ol
CID 62228825

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The IUPAC name of 6-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol (CID 64807219) is 6-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol.
What is the SMILES notation for 6-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The canonical SMILES for 6-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol is CC(C)NC(C)(CO)CCCCSc1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The InChIKey is IGZGHSCBQYTBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNOS/c1-13(2)18-16(3,12-19)10-4-5-11-20-15-8-6-14(17)7-9-15/h6-9,13,18-19H,4-5,10-12H2,1-3H3.
What are the key properties of 6-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
6-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol has a molecular weight of 299.45 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol is sourced from PubChem (CID 64807219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).