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

C9H12F3NOS — CID 115711046

IUPAC3,3,3-trifluoro-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine
SMILESCOc1ccsc1CNCCC(F)(F)F
InChIInChI=1S/C9H12F3NOS/c1-14-7-2-5-15-8(7)6-13-4-3-9(10,11)12/h2,5,13H,3-4,6H2,1H3
InChIKeyAEMXNPLLBSDJMN-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.80
Rot. Bonds5

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

3,3,3-trifluoro-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine (PubChem CID 115711046) has the molecular formula C9H12F3NOS and a molecular weight of 239.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine
PubChem CID115711046
Molecular FormulaC9H12F3NOS
Molecular Weight239.26 g/mol
Exact Mass239.06
IUPAC Name3,3,3-trifluoro-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine
SMILESCOc1ccsc1CNCCC(F)(F)F
InChIInChI=1S/C9H12F3NOS/c1-14-7-2-5-15-8(7)6-13-4-3-9(10,11)12/h2,5,13H,3-4,6H2,1H3
InChIKeyAEMXNPLLBSDJMN-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.80
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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Related Compounds

(3-Methoxythien-2-yl)methylamine
CID 43811049
1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 43811050
1-[3-(difluoromethoxy)thiophen-2-yl]-N-methylmethanamine
CID 138478526
3-(Trifluoromethyl)-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine
CID 156238504
[3-(Difluoromethoxy)thiophen-2-yl]methanamine
CID 176110639
3-(Difluoromethoxy)thiophene-2-carbothioamide
CID 178133599
[3-(2,2,2-Trifluoroethoxy)thiophen-2-yl]methanamine
CID 39202914
2,2,2-trifluoro-N-[(3-methoxythiophen-2-yl)methyl]ethanamine
CID 63333195
2,2,2-trifluoro-N-[(4-methoxythiophen-2-yl)methyl]ethanamine
CID 81122011
4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)-N-propylbutan-1-amine
CID 104992723
4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)-N-methylbutan-1-amine
CID 104992724
4,4,4-Trifluoro-1-(3-methoxythiophen-2-yl)butan-1-amine
CID 104992725

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine (CID 115711046) is 3,3,3-trifluoro-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine is COc1ccsc1CNCCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine?
The InChIKey is AEMXNPLLBSDJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NOS/c1-14-7-2-5-15-8(7)6-13-4-3-9(10,11)12/h2,5,13H,3-4,6H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine?
3,3,3-trifluoro-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine has a molecular weight of 239.26 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 115711046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).