N-[[3-(4-bromothiophen-3-yl)phenyl]methyl]ethanamine

C13H14BrNS — CID 79601644

IUPACN-[[3-(4-bromothiophen-3-yl)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(-c2cscc2Br)c1
InChIInChI=1S/C13H14BrNS/c1-2-15-7-10-4-3-5-11(6-10)12-8-16-9-13(12)14/h3-6,8-9,15H,2,7H2,1H3
InChIKeyIWPHUEMKIYZZCH-UHFFFAOYSA-N
MW296.23 g/mol
LogP4.29
Rot. Bonds4

About N-[[3-(4-bromothiophen-3-yl)phenyl]methyl]ethanamine

N-[[3-(4-bromothiophen-3-yl)phenyl]methyl]ethanamine (PubChem CID 79601644) has the molecular formula C13H14BrNS and a molecular weight of 296.23 g/mol. Its IUPAC name is N-[[3-(4-bromothiophen-3-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(4-bromothiophen-3-yl)phenyl]methyl]ethanamine
PubChem CID79601644
Molecular FormulaC13H14BrNS
Molecular Weight296.23 g/mol
Exact Mass295.00
IUPAC NameN-[[3-(4-bromothiophen-3-yl)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(-c2cscc2Br)c1
InChIInChI=1S/C13H14BrNS/c1-2-15-7-10-4-3-5-11(6-10)12-8-16-9-13(12)14/h3-6,8-9,15H,2,7H2,1H3
InChIKeyIWPHUEMKIYZZCH-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(4-bromothiophen-3-yl)phenyl]methanol
CID 164647442
N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]ethanamine
CID 79601552
N-[(3-phenylphenyl)methyl]ethanamine
CID 54178417
N-[[3-(2,3-difluorophenyl)phenyl]methyl]ethanamine
CID 63989003
N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]ethanamine
CID 107514099
N-[[3-(2,3,4-trifluorophenyl)phenyl]methyl]ethanamine
CID 62963734
N-[[3-(2-methoxyphenyl)phenyl]methyl]ethanamine
CID 54911742
N-[(3-propylphenyl)methyl]ethanamine
CID 59900553
N-[[3-(3,5-difluorophenyl)phenyl]methyl]ethanamine
CID 54911880
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62421924
N-[(3,4-dibromophenyl)methyl]ethanamine
CID 115692981

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-bromothiophen-3-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(4-bromothiophen-3-yl)phenyl]methyl]ethanamine (CID 79601644) is N-[[3-(4-bromothiophen-3-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(4-bromothiophen-3-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(4-bromothiophen-3-yl)phenyl]methyl]ethanamine is CCNCc1cccc(-c2cscc2Br)c1.
What is the InChIKey of N-[[3-(4-bromothiophen-3-yl)phenyl]methyl]ethanamine?
The InChIKey is IWPHUEMKIYZZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS/c1-2-15-7-10-4-3-5-11(6-10)12-8-16-9-13(12)14/h3-6,8-9,15H,2,7H2,1H3.
What are the key properties of N-[[3-(4-bromothiophen-3-yl)phenyl]methyl]ethanamine?
N-[[3-(4-bromothiophen-3-yl)phenyl]methyl]ethanamine has a molecular weight of 296.23 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-bromothiophen-3-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 79601644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).