(1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine

C13H14BrNOS — CID 102946837

IUPAC(1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Br)cc1OCc1cccs1
InChIInChI=1S/C13H14BrNOS/c1-9(15)12-5-4-10(14)7-13(12)16-8-11-3-2-6-17-11/h2-7,9H,8,15H2,1H3/t9-/m1/s1
InChIKeyXJCSCKQVTHODLY-SECBINFHSA-N
MW312.23 g/mol
LogP4.11
Rot. Bonds4

About (1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine

(1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine (PubChem CID 102946837) has the molecular formula C13H14BrNOS and a molecular weight of 312.23 g/mol. Its IUPAC name is (1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
PubChem CID102946837
Molecular FormulaC13H14BrNOS
Molecular Weight312.23 g/mol
Exact Mass311.00
IUPAC Name(1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Br)cc1OCc1cccs1
InChIInChI=1S/C13H14BrNOS/c1-9(15)12-5-4-10(14)7-13(12)16-8-11-3-2-6-17-11/h2-7,9H,8,15H2,1H3/t9-/m1/s1
InChIKeyXJCSCKQVTHODLY-SECBINFHSA-N
XLogP4.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-bromo-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 102947209
(1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 102948585
1-[4-bromo-2-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanamine
CID 102946185
(1S)-1-[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 55189544
1-[3-bromo-4-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 62911577
(1R)-1-[4-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanamine
CID 102946671
(1S)-1-[3-methyl-4-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 113386918
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 82975522
1-[4-bromo-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 102946440
(1S)-1-[2-[(4-bromothiophen-2-yl)methoxy]phenyl]ethanamine
CID 78936454
1-(4-bromo-2-prop-2-enoxyphenyl)ethanamine
CID 102946292
1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine
CID 102946431

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine (CID 102946837) is (1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine is C[C@@H](N)c1ccc(Br)cc1OCc1cccs1.
What is the InChIKey of (1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine?
The InChIKey is XJCSCKQVTHODLY-SECBINFHSA-N. The full InChI is InChI=1S/C13H14BrNOS/c1-9(15)12-5-4-10(14)7-13(12)16-8-11-3-2-6-17-11/h2-7,9H,8,15H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine?
(1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine has a molecular weight of 312.23 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 102946837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).