3-(2,2-difluoroethoxy)-1-(5-methylthiophen-3-yl)propan-1-amine

C10H15F2NOS — CID 103148988

IUPAC3-(2,2-difluoroethoxy)-1-(5-methylthiophen-3-yl)propan-1-amine
SMILESCc1cc(C(N)CCOCC(F)F)cs1
InChIInChI=1S/C10H15F2NOS/c1-7-4-8(6-15-7)9(13)2-3-14-5-10(11)12/h4,6,9-10H,2-3,5,13H2,1H3
InChIKeyOYRDOBBSNYILST-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.73
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-1-(5-methylthiophen-3-yl)propan-1-amine

3-(2,2-difluoroethoxy)-1-(5-methylthiophen-3-yl)propan-1-amine (PubChem CID 103148988) has the molecular formula C10H15F2NOS and a molecular weight of 235.30 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(5-methylthiophen-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(5-methylthiophen-3-yl)propan-1-amine
PubChem CID103148988
Molecular FormulaC10H15F2NOS
Molecular Weight235.30 g/mol
Exact Mass235.08
IUPAC Name3-(2,2-difluoroethoxy)-1-(5-methylthiophen-3-yl)propan-1-amine
SMILESCc1cc(C(N)CCOCC(F)F)cs1
InChIInChI=1S/C10H15F2NOS/c1-7-4-8(6-15-7)9(13)2-3-14-5-10(11)12/h4,6,9-10H,2-3,5,13H2,1H3
InChIKeyOYRDOBBSNYILST-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.73
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

(2S,4S)-4-amino-1,1,1-trifluoro-4-(4-methylthiophen-2-yl)pentan-2-ol
CID 90308209
4-Amino-1,1,1-trifluoro-4-(4-methylthiophen-2-yl)pentan-2-ol
CID 123391992
3-Methoxy-3-methyl-1-thiophen-2-ylbutan-1-amine
CID 103024920
3-Methoxy-3-methyl-1-(3-methylthiophen-2-yl)butan-1-amine
CID 103028545
3-Methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 103029545
4-Methoxy-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine
CID 103031309
(1S)-1-(2,5-dimethylthiophen-3-yl)-3,3,3-trifluoropropan-1-amine
CID 28940391
(1R)-1-(2,5-dimethylthiophen-3-yl)-3,3,3-trifluoropropan-1-amine
CID 28940393
1-(2,5-Dimethylthiophen-3-yl)-3,3,3-trifluoropropan-1-amine
CID 43119775
1-(2,5-Dimethylthiophen-3-yl)-2,2-difluoroethan-1-amine
CID 45282705
N-methyl-1-thiophen-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095627
N-ethyl-1-thiophen-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 55095675

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(5-methylthiophen-3-yl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(5-methylthiophen-3-yl)propan-1-amine (CID 103148988) is 3-(2,2-difluoroethoxy)-1-(5-methylthiophen-3-yl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(5-methylthiophen-3-yl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(5-methylthiophen-3-yl)propan-1-amine is Cc1cc(C(N)CCOCC(F)F)cs1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(5-methylthiophen-3-yl)propan-1-amine?
The InChIKey is OYRDOBBSNYILST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NOS/c1-7-4-8(6-15-7)9(13)2-3-14-5-10(11)12/h4,6,9-10H,2-3,5,13H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(5-methylthiophen-3-yl)propan-1-amine?
3-(2,2-difluoroethoxy)-1-(5-methylthiophen-3-yl)propan-1-amine has a molecular weight of 235.30 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(5-methylthiophen-3-yl)propan-1-amine is sourced from PubChem (CID 103148988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).