(1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanamine

C13H13BrClNOS — CID 63366655

IUPAC(1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanamine
SMILESC[C@H](N)c1cc(Cl)ccc1OCc1sccc1Br
InChIInChI=1S/C13H13BrClNOS/c1-8(16)10-6-9(15)2-3-12(10)17-7-13-11(14)4-5-18-13/h2-6,8H,7,16H2,1H3/t8-/m0/s1
InChIKeyZTHBRQLKWGWBOQ-QMMMGPOBSA-N
MW346.68 g/mol
LogP4.76
Rot. Bonds4

About (1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanamine

(1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanamine (PubChem CID 63366655) has the molecular formula C13H13BrClNOS and a molecular weight of 346.68 g/mol. Its IUPAC name is (1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanamine
PubChem CID63366655
Molecular FormulaC13H13BrClNOS
Molecular Weight346.68 g/mol
Exact Mass344.96
IUPAC Name(1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanamine
SMILESC[C@H](N)c1cc(Cl)ccc1OCc1sccc1Br
InChIInChI=1S/C13H13BrClNOS/c1-8(16)10-6-9(15)2-3-12(10)17-7-13-11(14)4-5-18-13/h2-6,8H,7,16H2,1H3/t8-/m0/s1
InChIKeyZTHBRQLKWGWBOQ-QMMMGPOBSA-N
XLogP4.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.68
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanol
CID 78931079
1-[4-bromo-2-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanamine
CID 102946185
(1S)-1-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63485360
(1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 78932662
1-[5-chloro-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 65318702
1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 62073872
(1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-methylphenyl]ethanol
CID 78934170
1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine
CID 62072333
3-bromo-2-[(2-propan-2-ylphenoxy)methyl]thiophene
CID 63459035
(1R)-1-[5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 63366752
1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63499414
(1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 78944107

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanamine?
The IUPAC name of (1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanamine (CID 63366655) is (1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanamine is C[C@H](N)c1cc(Cl)ccc1OCc1sccc1Br.
What is the InChIKey of (1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanamine?
The InChIKey is ZTHBRQLKWGWBOQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H13BrClNOS/c1-8(16)10-6-9(15)2-3-12(10)17-7-13-11(14)4-5-18-13/h2-6,8H,7,16H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanamine?
(1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanamine has a molecular weight of 346.68 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanamine is sourced from PubChem (CID 63366655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).