6-[(S)-amino(thiophen-2-yl)methyl]-2-fluoro-3-methylphenol

C12H12FNOS — CID 131469542

IUPAC6-[(S)-amino(thiophen-2-yl)methyl]-2-fluoro-3-methylphenol
SMILESCc1ccc([C@H](N)c2cccs2)c(O)c1F
InChIInChI=1S/C12H12FNOS/c1-7-4-5-8(12(15)10(7)13)11(14)9-3-2-6-16-9/h2-6,11,15H,14H2,1H3/t11-/m0/s1
InChIKeyBSXBIXYMECSVLQ-NSHDSACASA-N
MW237.30 g/mol
LogP2.95
Rot. Bonds2

About 6-[(S)-amino(thiophen-2-yl)methyl]-2-fluoro-3-methylphenol

6-[(S)-amino(thiophen-2-yl)methyl]-2-fluoro-3-methylphenol (PubChem CID 131469542) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-[(S)-amino(thiophen-2-yl)methyl]-2-fluoro-3-methylphenol.

Molecular Properties

Compound Name6-[(S)-amino(thiophen-2-yl)methyl]-2-fluoro-3-methylphenol
PubChem CID131469542
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name6-[(S)-amino(thiophen-2-yl)methyl]-2-fluoro-3-methylphenol
SMILESCc1ccc([C@H](N)c2cccs2)c(O)c1F
InChIInChI=1S/C12H12FNOS/c1-7-4-5-8(12(15)10(7)13)11(14)9-3-2-6-16-9/h2-6,11,15H,14H2,1H3/t11-/m0/s1
InChIKeyBSXBIXYMECSVLQ-NSHDSACASA-N
XLogP2.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(Piperidin-1-ylmethyl)-5-(3-thiophen-2-ylpropyl)phenol
CID 122185203
US9676701, 113 3-(5-((trans)-2-aminocyclopropyl)thiophen-2-yl)phenol trihydrochloride
CID 56650939
5-(Aminomethyl)-3-methylsulfanyl-2-benzothiophen-4-ol
CID 122391198
1-[Amino(2-thienyl)methyl]-2-naphthol
CID 102281944
1-[Amino(3-thienyl)methyl]-2-naphthol
CID 102281945
2-[Amino(3-thienyl)methyl]-1-naphthol
CID 129853467
2-[Amino(2-thienyl)methyl]-1-naphthol
CID 129853470
4-fluoro-2-(3-thiophen-2-yl-2,3-dihydro-1H-pyrazol-5-yl)phenol
CID 4746898
(5-Fluoro-2-methoxyphenyl)-thiophen-3-ylmethanamine
CID 43464529
(5-Fluoro-2-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine
CID 43464532
(5-Fluoro-2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43464539
5-Fluoro-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol
CID 55146110

Frequently Asked Questions

What is the IUPAC name of 6-[(S)-amino(thiophen-2-yl)methyl]-2-fluoro-3-methylphenol?
The IUPAC name of 6-[(S)-amino(thiophen-2-yl)methyl]-2-fluoro-3-methylphenol (CID 131469542) is 6-[(S)-amino(thiophen-2-yl)methyl]-2-fluoro-3-methylphenol.
What is the SMILES notation for 6-[(S)-amino(thiophen-2-yl)methyl]-2-fluoro-3-methylphenol?
The canonical SMILES for 6-[(S)-amino(thiophen-2-yl)methyl]-2-fluoro-3-methylphenol is Cc1ccc([C@H](N)c2cccs2)c(O)c1F.
What is the InChIKey of 6-[(S)-amino(thiophen-2-yl)methyl]-2-fluoro-3-methylphenol?
The InChIKey is BSXBIXYMECSVLQ-NSHDSACASA-N. The full InChI is InChI=1S/C12H12FNOS/c1-7-4-5-8(12(15)10(7)13)11(14)9-3-2-6-16-9/h2-6,11,15H,14H2,1H3/t11-/m0/s1.
What are the key properties of 6-[(S)-amino(thiophen-2-yl)methyl]-2-fluoro-3-methylphenol?
6-[(S)-amino(thiophen-2-yl)methyl]-2-fluoro-3-methylphenol has a molecular weight of 237.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(S)-amino(thiophen-2-yl)methyl]-2-fluoro-3-methylphenol is sourced from PubChem (CID 131469542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).