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

C14H14F3NS — CID 62814253

IUPACN-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2cc(F)cc(F)c2F)s1
InChIInChI=1S/C14H14F3NS/c1-8(2)18-7-10-3-4-13(19-10)11-5-9(15)6-12(16)14(11)17/h3-6,8,18H,7H2,1-2H3
InChIKeyDPYUJUHUUNNPKR-UHFFFAOYSA-N
MW285.33 g/mol
LogP4.33
Rot. Bonds4

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

N-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-2-amine (PubChem CID 62814253) 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-2-amine.

Molecular Properties

Compound NameN-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-2-amine
PubChem CID62814253
Molecular FormulaC14H14F3NS
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC NameN-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2cc(F)cc(F)c2F)s1
InChIInChI=1S/C14H14F3NS/c1-8(2)18-7-10-3-4-13(19-10)11-5-9(15)6-12(16)14(11)17/h3-6,8,18H,7H2,1-2H3
InChIKeyDPYUJUHUUNNPKR-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': '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-1-amine
CID 62814080
N-[[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]methyl]propan-2-amine
CID 103586918
N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]methyl]propan-2-amine
CID 107368888
N-[[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]methyl]propan-2-amine
CID 114260893
N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43213873
1-[5-(2,3,5-trifluorophenyl)thiophen-2-yl]propan-1-amine
CID 55119174
1-[5-(2-bromo-5-fluorophenyl)thiophen-2-yl]-N-methylmethanamine
CID 107626547
N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107559425
N-[[2-(2,5-difluorophenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 63674986
N-[[4-(5-chlorothiophen-2-yl)-3-fluorophenyl]methyl]propan-2-amine
CID 81446769
N-[[5-[(4-fluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558537

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-2-amine (CID 62814253) is N-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-2-amine is CC(C)NCc1ccc(-c2cc(F)cc(F)c2F)s1.
What is the InChIKey of N-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is DPYUJUHUUNNPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NS/c1-8(2)18-7-10-3-4-13(19-10)11-5-9(15)6-12(16)14(11)17/h3-6,8,18H,7H2,1-2H3.
What are the key properties of N-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-2-amine?
N-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 285.33 g/mol, XLogP of 4.33, 4 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-2-amine is sourced from PubChem (CID 62814253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).