N-[[3-(difluoromethyl)phenyl]methyl]-2-thiophen-3-ylethanamine

C14H15F2NS — CID 115526406

IUPACN-[[3-(difluoromethyl)phenyl]methyl]-2-thiophen-3-ylethanamine
SMILESFC(F)c1cccc(CNCCc2ccsc2)c1
InChIInChI=1S/C14H15F2NS/c15-14(16)13-3-1-2-12(8-13)9-17-6-4-11-5-7-18-10-11/h1-3,5,7-8,10,14,17H,4,6,9H2
InChIKeyPGNJBYLKMLQMEE-UHFFFAOYSA-N
MW267.34 g/mol
LogP4.02
Rot. Bonds6

About N-[[3-(difluoromethyl)phenyl]methyl]-2-thiophen-3-ylethanamine

N-[[3-(difluoromethyl)phenyl]methyl]-2-thiophen-3-ylethanamine (PubChem CID 115526406) has the molecular formula C14H15F2NS and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[[3-(difluoromethyl)phenyl]methyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[[3-(difluoromethyl)phenyl]methyl]-2-thiophen-3-ylethanamine
PubChem CID115526406
Molecular FormulaC14H15F2NS
Molecular Weight267.34 g/mol
Exact Mass267.09
IUPAC NameN-[[3-(difluoromethyl)phenyl]methyl]-2-thiophen-3-ylethanamine
SMILESFC(F)c1cccc(CNCCc2ccsc2)c1
InChIInChI=1S/C14H15F2NS/c15-14(16)13-3-1-2-12(8-13)9-17-6-4-11-5-7-18-10-11/h1-3,5,7-8,10,14,17H,4,6,9H2
InChIKeyPGNJBYLKMLQMEE-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 54.02
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

N-[[3-(difluoromethyl)phenyl]methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 115526517
N-[[3-(difluoromethyl)phenyl]methyl]-2-(furan-2-yl)ethanamine
CID 113328695
N-[[3-(difluoromethyl)phenyl]methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 115526640
4-[[3-(difluoromethyl)phenyl]methylamino]butan-2-ol
CID 115526556
N-[(4-phenylphenyl)methyl]-2-thiophen-3-ylethanamine
CID 63455136
4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]phenol
CID 114331434
N-[[3-(difluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)ethanamine
CID 115526630
N-[[3-(difluoromethyl)phenyl]methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 114187455
2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine
CID 61474890
N-[[3-(difluoromethyl)phenyl]methyl]-4-propan-2-yloxybutan-1-amine
CID 106007636
2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
CID 113328709
N-[[3-(difluoromethyl)phenyl]methyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 113328744

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-2-thiophen-3-ylethanamine?
The IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-2-thiophen-3-ylethanamine (CID 115526406) is N-[[3-(difluoromethyl)phenyl]methyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[[3-(difluoromethyl)phenyl]methyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[[3-(difluoromethyl)phenyl]methyl]-2-thiophen-3-ylethanamine is FC(F)c1cccc(CNCCc2ccsc2)c1.
What is the InChIKey of N-[[3-(difluoromethyl)phenyl]methyl]-2-thiophen-3-ylethanamine?
The InChIKey is PGNJBYLKMLQMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NS/c15-14(16)13-3-1-2-12(8-13)9-17-6-4-11-5-7-18-10-11/h1-3,5,7-8,10,14,17H,4,6,9H2.
What are the key properties of N-[[3-(difluoromethyl)phenyl]methyl]-2-thiophen-3-ylethanamine?
N-[[3-(difluoromethyl)phenyl]methyl]-2-thiophen-3-ylethanamine has a molecular weight of 267.34 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethyl)phenyl]methyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 115526406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).