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

C9H14FNOS — CID 115732963

IUPAC3-fluoro-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine
SMILESCOc1ccsc1CNCCCF
InChIInChI=1S/C9H14FNOS/c1-12-8-3-6-13-9(8)7-11-5-2-4-10/h3,6,11H,2,4-5,7H2,1H3
InChIKeyPXBIPYUJTHPGNB-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.21
Rot. Bonds6

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

3-fluoro-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine (PubChem CID 115732963) has the molecular formula C9H14FNOS and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-fluoro-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine
PubChem CID115732963
Molecular FormulaC9H14FNOS
Molecular Weight203.28 g/mol
Exact Mass203.08
IUPAC Name3-fluoro-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine
SMILESCOc1ccsc1CNCCCF
InChIInChI=1S/C9H14FNOS/c1-12-8-3-6-13-9(8)7-11-5-2-4-10/h3,6,11H,2,4-5,7H2,1H3
InChIKeyPXBIPYUJTHPGNB-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-[(3-methoxythiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-fluoro-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine (CID 115732963) is 3-fluoro-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-fluoro-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-fluoro-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine is COc1ccsc1CNCCCF.
What is the InChIKey of 3-fluoro-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine?
The InChIKey is PXBIPYUJTHPGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNOS/c1-12-8-3-6-13-9(8)7-11-5-2-4-10/h3,6,11H,2,4-5,7H2,1H3.
What are the key properties of 3-fluoro-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine?
3-fluoro-N-[(3-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-[(3-methoxythiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 115732963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).