N-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-1-amine

C14H14F3NS — CID 62814080

IUPACN-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cc(F)cc(F)c2F)s1
InChIInChI=1S/C14H14F3NS/c1-2-5-18-8-10-3-4-13(19-10)11-6-9(15)7-12(16)14(11)17/h3-4,6-7,18H,2,5,8H2,1H3
InChIKeyMWJARMBSHDPPFU-UHFFFAOYSA-N
MW285.33 g/mol
LogP4.33
Rot. Bonds5

About N-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-1-amine

N-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-1-amine (PubChem CID 62814080) has the molecular formula C14H14F3NS and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-1-amine
PubChem CID62814080
Molecular FormulaC14H14F3NS
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC NameN-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cc(F)cc(F)c2F)s1
InChIInChI=1S/C14H14F3NS/c1-2-5-18-8-10-3-4-13(19-10)11-6-9(15)7-12(16)14(11)17/h3-4,6-7,18H,2,5,8H2,1H3
InChIKeyMWJARMBSHDPPFU-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine
CID 62813910
N-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-2-amine
CID 62814253
N-[[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 43287243
N-[[5-(2,4,5-trichlorophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 43287438
N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 43287183
N-[[5-(5-fluoro-3-pyridinyl)thiophen-2-yl]methyl]propan-1-amine
CID 114254901
N-[[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 55187278
1-[5-(2,3,5-trifluorophenyl)thiophen-2-yl]propan-1-amine
CID 55119174
N-[(5-naphthalen-2-ylthiophen-2-yl)methyl]propan-1-amine
CID 43287188
N-[[5-[4-bromo-3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]propan-1-amine
CID 64855339
1-[5-(2-bromo-5-fluorophenyl)thiophen-2-yl]-N-methylmethanamine
CID 107626547
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-1-amine (CID 62814080) is N-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-1-amine is CCCNCc1ccc(-c2cc(F)cc(F)c2F)s1.
What is the InChIKey of N-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is MWJARMBSHDPPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NS/c1-2-5-18-8-10-3-4-13(19-10)11-6-9(15)7-12(16)14(11)17/h3-4,6-7,18H,2,5,8H2,1H3.
What are the key properties of N-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-1-amine?
N-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 285.33 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62814080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).