2-amino-2-methyl-6-(2-methylphenyl)sulfanylhexan-1-ol

C14H23NOS — CID 64807687

IUPAC2-amino-2-methyl-6-(2-methylphenyl)sulfanylhexan-1-ol
SMILESCc1ccccc1SCCCCC(C)(N)CO
InChIInChI=1S/C14H23NOS/c1-12-7-3-4-8-13(12)17-10-6-5-9-14(2,15)11-16/h3-4,7-8,16H,5-6,9-11,15H2,1-2H3
InChIKeyFUKDJIUZHABPKA-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.97
Rot. Bonds7

About 2-amino-2-methyl-6-(2-methylphenyl)sulfanylhexan-1-ol

2-amino-2-methyl-6-(2-methylphenyl)sulfanylhexan-1-ol (PubChem CID 64807687) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-amino-2-methyl-6-(2-methylphenyl)sulfanylhexan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-6-(2-methylphenyl)sulfanylhexan-1-ol
PubChem CID64807687
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-amino-2-methyl-6-(2-methylphenyl)sulfanylhexan-1-ol
SMILESCc1ccccc1SCCCCC(C)(N)CO
InChIInChI=1S/C14H23NOS/c1-12-7-3-4-8-13(12)17-10-6-5-9-14(2,15)11-16/h3-4,7-8,16H,5-6,9-11,15H2,1-2H3
InChIKeyFUKDJIUZHABPKA-UHFFFAOYSA-N
XLogP2.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.97
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-amino-6-(2-chlorophenyl)sulfanyl-2-methylhexan-1-ol
CID 64805546
2-amino-5-(2-bromophenyl)sulfanyl-2-methylpentan-1-ol
CID 64819483
2-amino-6-(4-bromophenyl)sulfanyl-2-methylhexan-1-ol
CID 64818594
1-methyl-2-undecylsulfanylbenzene
CID 173415196
2-amino-2-methyl-5-(3-methylphenyl)sulfanylpentan-1-ol
CID 64806442
2-amino-2-methyl-4-(2-methylphenyl)sulfanylpentan-1-ol
CID 64807682
1-(3-bromopropylsulfanyl)-2-methylbenzene
CID 60891790
3-[2-[2-(3-hydroxy-2,2-dimethylpropyl)sulfanyl-6-methylphenyl]-3-methylphenyl]sulfanyl-2,2-dimethylpropan-1-ol
CID 139688649
5-(2-methylphenyl)sulfanylpentan-2-amine
CID 64649281
2-amino-2-methyl-6-phenoxyhexan-1-ol
CID 64803768
6-(2-methylphenyl)sulfanylhexan-3-amine
CID 106808325
4-(2-methylphenyl)sulfanylbutanimidamide
CID 60892007

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-6-(2-methylphenyl)sulfanylhexan-1-ol?
The IUPAC name of 2-amino-2-methyl-6-(2-methylphenyl)sulfanylhexan-1-ol (CID 64807687) is 2-amino-2-methyl-6-(2-methylphenyl)sulfanylhexan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-6-(2-methylphenyl)sulfanylhexan-1-ol?
The canonical SMILES for 2-amino-2-methyl-6-(2-methylphenyl)sulfanylhexan-1-ol is Cc1ccccc1SCCCCC(C)(N)CO.
What is the InChIKey of 2-amino-2-methyl-6-(2-methylphenyl)sulfanylhexan-1-ol?
The InChIKey is FUKDJIUZHABPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-12-7-3-4-8-13(12)17-10-6-5-9-14(2,15)11-16/h3-4,7-8,16H,5-6,9-11,15H2,1-2H3.
What are the key properties of 2-amino-2-methyl-6-(2-methylphenyl)sulfanylhexan-1-ol?
2-amino-2-methyl-6-(2-methylphenyl)sulfanylhexan-1-ol has a molecular weight of 253.41 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-6-(2-methylphenyl)sulfanylhexan-1-ol is sourced from PubChem (CID 64807687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).