N-[(4-bromo-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]ethanamine

C14H15BrFNS — CID 102841300

IUPACN-[(4-bromo-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)c(F)c1)c1ccsc1C
InChIInChI=1S/C14H15BrFNS/c1-3-17-14(11-6-7-18-9(11)2)10-4-5-12(15)13(16)8-10/h4-8,14,17H,3H2,1-2H3
InChIKeyPGFDNVKFBZBWFY-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.66
Rot. Bonds4

About N-[(4-bromo-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]ethanamine

N-[(4-bromo-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]ethanamine (PubChem CID 102841300) has the molecular formula C14H15BrFNS and a molecular weight of 328.25 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]ethanamine
PubChem CID102841300
Molecular FormulaC14H15BrFNS
Molecular Weight328.25 g/mol
Exact Mass327.01
IUPAC NameN-[(4-bromo-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)c(F)c1)c1ccsc1C
InChIInChI=1S/C14H15BrFNS/c1-3-17-14(11-6-7-18-9(11)2)10-4-5-12(15)13(16)8-10/h4-8,14,17H,3H2,1-2H3
InChIKeyPGFDNVKFBZBWFY-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-benzothiophen-7-yl-(4-bromo-3-fluorophenyl)methyl]ethanamine
CID 105022096
N-[(4-bromo-3-fluorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 105022728
N-[(4-bromo-3-fluorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 105016605
N-[(2-methylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102840771
N-[(2-methyl-4-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 106756018
N-[(2-methylthiophen-3-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 102841738
N-[(3-bromothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 79746478
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102831967
N-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923988
N-[(3-bromo-4-fluorophenyl)-(2-bromo-5-methylphenyl)methyl]ethanamine
CID 81109551
N-[[4-bromo-2-(trifluoromethyl)phenyl]-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102832268
N-[(2-bromophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491377

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]ethanamine (CID 102841300) is N-[(4-bromo-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]ethanamine is CCNC(c1ccc(Br)c(F)c1)c1ccsc1C.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]ethanamine?
The InChIKey is PGFDNVKFBZBWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNS/c1-3-17-14(11-6-7-18-9(11)2)10-4-5-12(15)13(16)8-10/h4-8,14,17H,3H2,1-2H3.
What are the key properties of N-[(4-bromo-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]ethanamine?
N-[(4-bromo-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]ethanamine has a molecular weight of 328.25 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 102841300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).