N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropropan-1-amine

C10H16FNS — CID 81105748

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropropan-1-amine
SMILESCc1cc(CNCCCF)sc1C
InChIInChI=1S/C10H16FNS/c1-8-6-10(13-9(8)2)7-12-5-3-4-11/h6,12H,3-5,7H2,1-2H3
InChIKeySKGWKUMZGCJNAL-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.81
Rot. Bonds5

About N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropropan-1-amine

N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropropan-1-amine (PubChem CID 81105748) has the molecular formula C10H16FNS and a molecular weight of 201.31 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropropan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropropan-1-amine
PubChem CID81105748
Molecular FormulaC10H16FNS
Molecular Weight201.31 g/mol
Exact Mass201.10
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropropan-1-amine
SMILESCc1cc(CNCCCF)sc1C
InChIInChI=1S/C10H16FNS/c1-8-6-10(13-9(8)2)7-12-5-3-4-11/h6,12H,3-5,7H2,1-2H3
InChIKeySKGWKUMZGCJNAL-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl[(3-methylthiophen-2-yl)methyl]amine hydrochloride
CID 16187615
2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
Tifacogin
CID 961320
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
4,5,6,7-Tetrahydrothieno(3,2-c)pyridine
CID 3085076
7-methyl-4H,5H,6H,7H-thieno(2,3-c)pyridine
CID 14548169
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
2-Methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 18377285
N-[2-(4-fluorophenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]amine
CID 1817795
4-ethyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485296
4,5,6,7-Tetrahydrothieno(3,2-c)pyridinium chloride
CID 10176342

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropropan-1-amine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropropan-1-amine (CID 81105748) is N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropropan-1-amine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropropan-1-amine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropropan-1-amine is Cc1cc(CNCCCF)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropropan-1-amine?
The InChIKey is SKGWKUMZGCJNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNS/c1-8-6-10(13-9(8)2)7-12-5-3-4-11/h6,12H,3-5,7H2,1-2H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropropan-1-amine?
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropropan-1-amine has a molecular weight of 201.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropropan-1-amine is sourced from PubChem (CID 81105748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).