3-fluoro-N-[(5-methoxythiophen-2-yl)methyl]propan-1-amine

C9H14FNOS — CID 115733065

IUPAC3-fluoro-N-[(5-methoxythiophen-2-yl)methyl]propan-1-amine
SMILESCOc1ccc(CNCCCF)s1
InChIInChI=1S/C9H14FNOS/c1-12-9-4-3-8(13-9)7-11-6-2-5-10/h3-4,11H,2,5-7H2,1H3
InChIKeyFAMSIBZUVRBZFB-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.21
Rot. Bonds6

About 3-fluoro-N-[(5-methoxythiophen-2-yl)methyl]propan-1-amine

3-fluoro-N-[(5-methoxythiophen-2-yl)methyl]propan-1-amine (PubChem CID 115733065) has the molecular formula C9H14FNOS and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-fluoro-N-[(5-methoxythiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-[(5-methoxythiophen-2-yl)methyl]propan-1-amine
PubChem CID115733065
Molecular FormulaC9H14FNOS
Molecular Weight203.28 g/mol
Exact Mass203.08
IUPAC Name3-fluoro-N-[(5-methoxythiophen-2-yl)methyl]propan-1-amine
SMILESCOc1ccc(CNCCCF)s1
InChIInChI=1S/C9H14FNOS/c1-12-9-4-3-8(13-9)7-11-6-2-5-10/h3-4,11H,2,5-7H2,1H3
InChIKeyFAMSIBZUVRBZFB-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(5-methoxythiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-fluoro-N-[(5-methoxythiophen-2-yl)methyl]propan-1-amine (CID 115733065) is 3-fluoro-N-[(5-methoxythiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-fluoro-N-[(5-methoxythiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-fluoro-N-[(5-methoxythiophen-2-yl)methyl]propan-1-amine is COc1ccc(CNCCCF)s1.
What is the InChIKey of 3-fluoro-N-[(5-methoxythiophen-2-yl)methyl]propan-1-amine?
The InChIKey is FAMSIBZUVRBZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNOS/c1-12-9-4-3-8(13-9)7-11-6-2-5-10/h3-4,11H,2,5-7H2,1H3.
What are the key properties of 3-fluoro-N-[(5-methoxythiophen-2-yl)methyl]propan-1-amine?
3-fluoro-N-[(5-methoxythiophen-2-yl)methyl]propan-1-amine has a molecular weight of 203.28 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(5-methoxythiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 115733065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).