(1S)-1-[2-[(4-bromothiophen-2-yl)methoxy]phenyl]ethanamine

C13H14BrNOS — CID 78936454

IUPAC(1S)-1-[2-[(4-bromothiophen-2-yl)methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1ccccc1OCc1cc(Br)cs1
InChIInChI=1S/C13H14BrNOS/c1-9(15)12-4-2-3-5-13(12)16-7-11-6-10(14)8-17-11/h2-6,8-9H,7,15H2,1H3/t9-/m0/s1
InChIKeyPCDJIBZRWPBWMV-VIFPVBQESA-N
MW312.23 g/mol
LogP4.11
Rot. Bonds4

About (1S)-1-[2-[(4-bromothiophen-2-yl)methoxy]phenyl]ethanamine

(1S)-1-[2-[(4-bromothiophen-2-yl)methoxy]phenyl]ethanamine (PubChem CID 78936454) has the molecular formula C13H14BrNOS and a molecular weight of 312.23 g/mol. Its IUPAC name is (1S)-1-[2-[(4-bromothiophen-2-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-[(4-bromothiophen-2-yl)methoxy]phenyl]ethanamine
PubChem CID78936454
Molecular FormulaC13H14BrNOS
Molecular Weight312.23 g/mol
Exact Mass311.00
IUPAC Name(1S)-1-[2-[(4-bromothiophen-2-yl)methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1ccccc1OCc1cc(Br)cs1
InChIInChI=1S/C13H14BrNOS/c1-9(15)12-4-2-3-5-13(12)16-7-11-6-10(14)8-17-11/h2-6,8-9H,7,15H2,1H3/t9-/m0/s1
InChIKeyPCDJIBZRWPBWMV-VIFPVBQESA-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

Analyze (1S)-1-[2-[(4-bromothiophen-2-yl)methoxy]phenyl]ethanamine with MolForge

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Related Compounds

(1S)-1-[1-[(4-bromothiophen-2-yl)methoxy]naphthalen-2-yl]ethanamine
CID 63368464
1-[2-[(4-bromophenyl)methoxy]phenyl]ethanamine
CID 60879192
1-[2-(thiophen-3-ylmethoxy)phenyl]ethanamine
CID 60880324
1-[4-[(4-bromothiophen-2-yl)methoxy]-3-chlorophenyl]ethanamine
CID 113389706
(1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 102946837
4-bromo-2-[(2-phenylphenoxy)methyl]thiophene
CID 63458851
(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 30079943
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
N-[[2-[(4-bromothiophen-2-yl)methoxy]-6-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 114319974
1-[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]-N-methylethanamine
CID 62073711
1-[2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 114345723
1-[3-[(4-bromothiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
CID 79169585

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(4-bromothiophen-2-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-[(4-bromothiophen-2-yl)methoxy]phenyl]ethanamine (CID 78936454) is (1S)-1-[2-[(4-bromothiophen-2-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-[(4-bromothiophen-2-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-[(4-bromothiophen-2-yl)methoxy]phenyl]ethanamine is C[C@H](N)c1ccccc1OCc1cc(Br)cs1.
What is the InChIKey of (1S)-1-[2-[(4-bromothiophen-2-yl)methoxy]phenyl]ethanamine?
The InChIKey is PCDJIBZRWPBWMV-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14BrNOS/c1-9(15)12-4-2-3-5-13(12)16-7-11-6-10(14)8-17-11/h2-6,8-9H,7,15H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[2-[(4-bromothiophen-2-yl)methoxy]phenyl]ethanamine?
(1S)-1-[2-[(4-bromothiophen-2-yl)methoxy]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 (1S)-1-[2-[(4-bromothiophen-2-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 78936454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).