N-[(3,5-dimethylthiophen-2-yl)-(3-fluorophenyl)methyl]ethanamine

C15H18FNS — CID 81156037

IUPACN-[(3,5-dimethylthiophen-2-yl)-(3-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(F)c1)c1sc(C)cc1C
InChIInChI=1S/C15H18FNS/c1-4-17-14(12-6-5-7-13(16)9-12)15-10(2)8-11(3)18-15/h5-9,14,17H,4H2,1-3H3
InChIKeyLKWGVAPPNSDZIL-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.20
Rot. Bonds4

About N-[(3,5-dimethylthiophen-2-yl)-(3-fluorophenyl)methyl]ethanamine

N-[(3,5-dimethylthiophen-2-yl)-(3-fluorophenyl)methyl]ethanamine (PubChem CID 81156037) has the molecular formula C15H18FNS and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(3,5-dimethylthiophen-2-yl)-(3-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylthiophen-2-yl)-(3-fluorophenyl)methyl]ethanamine
PubChem CID81156037
Molecular FormulaC15H18FNS
Molecular Weight263.38 g/mol
Exact Mass263.11
IUPAC NameN-[(3,5-dimethylthiophen-2-yl)-(3-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(F)c1)c1sc(C)cc1C
InChIInChI=1S/C15H18FNS/c1-4-17-14(12-6-5-7-13(16)9-12)15-10(2)8-11(3)18-15/h5-9,14,17H,4H2,1-3H3
InChIKeyLKWGVAPPNSDZIL-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 82875015
N-[(3-bromo-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 107950801
N-[(2,3-dimethylphenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81157055
N-[(2-chloro-6-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81155515
N-[(3,5-dibromophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 107979894
N-[(4-chloro-3-methylphenyl)-(3-fluorophenyl)methyl]ethanamine
CID 115792045
N-[(3-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 115792372
N-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43490212
N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43488690
N-[(2-chlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 61030250
N-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 66423459
N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43492851

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylthiophen-2-yl)-(3-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dimethylthiophen-2-yl)-(3-fluorophenyl)methyl]ethanamine (CID 81156037) is N-[(3,5-dimethylthiophen-2-yl)-(3-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dimethylthiophen-2-yl)-(3-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dimethylthiophen-2-yl)-(3-fluorophenyl)methyl]ethanamine is CCNC(c1cccc(F)c1)c1sc(C)cc1C.
What is the InChIKey of N-[(3,5-dimethylthiophen-2-yl)-(3-fluorophenyl)methyl]ethanamine?
The InChIKey is LKWGVAPPNSDZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNS/c1-4-17-14(12-6-5-7-13(16)9-12)15-10(2)8-11(3)18-15/h5-9,14,17H,4H2,1-3H3.
What are the key properties of N-[(3,5-dimethylthiophen-2-yl)-(3-fluorophenyl)methyl]ethanamine?
N-[(3,5-dimethylthiophen-2-yl)-(3-fluorophenyl)methyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylthiophen-2-yl)-(3-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 81156037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).