N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine

C14H16BrNOS — CID 60882928

IUPACN-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Br)ccc1OCc1cccs1
InChIInChI=1S/C14H16BrNOS/c1-2-16-9-11-8-12(15)5-6-14(11)17-10-13-4-3-7-18-13/h3-8,16H,2,9-10H2,1H3
InChIKeyANPXWIGUZPZATD-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.20
Rot. Bonds6

About N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine

N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 60882928) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID60882928
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC NameN-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Br)ccc1OCc1cccs1
InChIInChI=1S/C14H16BrNOS/c1-2-16-9-11-8-12(15)5-6-14(11)17-10-13-4-3-7-18-13/h3-8,16H,2,9-10H2,1H3
InChIKeyANPXWIGUZPZATD-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-ethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 6457831
N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292192
N-[[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 60877961
(1S)-1-[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 55189544
N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695728
N-[[2-(thiophen-2-ylmethoxy)naphthalen-1-yl]methyl]ethanamine
CID 60889619
1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 60882008
(1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 102948585
3-[[4-bromo-2-(ethylaminomethyl)phenoxy]methyl]benzonitrile
CID 60882737
N-[[3-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 112609295
N-[[5-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]ethanamine
CID 112588014
N-[[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]methyl]ethanamine
CID 63496855

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine (CID 60882928) is N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine is CCNCc1cc(Br)ccc1OCc1cccs1.
What is the InChIKey of N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is ANPXWIGUZPZATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-2-16-9-11-8-12(15)5-6-14(11)17-10-13-4-3-7-18-13/h3-8,16H,2,9-10H2,1H3.
What are the key properties of N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine?
N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine has a molecular weight of 326.26 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 60882928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).