(1R)-1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine

C14H16BrNOS — CID 78937135

IUPAC(1R)-1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(OCc2ccc(Br)s2)cc1
InChIInChI=1S/C14H16BrNOS/c1-2-13(16)10-3-5-11(6-4-10)17-9-12-7-8-14(15)18-12/h3-8,13H,2,9,16H2,1H3/t13-/m1/s1
InChIKeyZAMPHXVSMYPVNN-CYBMUJFWSA-N
MW326.26 g/mol
LogP4.50
Rot. Bonds5

About (1R)-1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine

(1R)-1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine (PubChem CID 78937135) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is (1R)-1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
PubChem CID78937135
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name(1R)-1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(OCc2ccc(Br)s2)cc1
InChIInChI=1S/C14H16BrNOS/c1-2-13(16)10-3-5-11(6-4-10)17-9-12-7-8-14(15)18-12/h3-8,13H,2,9,16H2,1H3/t13-/m1/s1
InChIKeyZAMPHXVSMYPVNN-CYBMUJFWSA-N
XLogP4.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 60880329
1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]-N-methylpropan-1-amine
CID 60887228
1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 54930396
(1R)-1-[4-[(4-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 78937230
(1R)-1-[2-[(5-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 55189899
(1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine
CID 63367661
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
(1S)-1-[4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]propan-1-amine
CID 106262986
(1S)-1-[4-[(5-bromothiophen-2-yl)methoxy]-3-methoxyphenyl]ethanamine
CID 78936514
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
(1S)-1-(4-but-2-ynoxyphenyl)propan-1-amine
CID 63367698
(1R)-1-[4-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine
CID 78937022

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine (CID 78937135) is (1R)-1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine is CC[C@@H](N)c1ccc(OCc2ccc(Br)s2)cc1.
What is the InChIKey of (1R)-1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine?
The InChIKey is ZAMPHXVSMYPVNN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-2-13(16)10-3-5-11(6-4-10)17-9-12-7-8-14(15)18-12/h3-8,13H,2,9,16H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine?
(1R)-1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine has a molecular weight of 326.26 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 78937135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).