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

C15H18BrNOS — CID 54930396

IUPAC1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCc2ccc(Br)s2)cc1
InChIInChI=1S/C15H18BrNOS/c1-2-12(17)9-11-3-5-13(6-4-11)18-10-14-7-8-15(16)19-14/h3-8,12H,2,9-10,17H2,1H3
InChIKeyOLDNYZYHDCRCKT-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.37
Rot. Bonds6

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

1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]butan-2-amine (PubChem CID 54930396) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]butan-2-amine
PubChem CID54930396
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCc2ccc(Br)s2)cc1
InChIInChI=1S/C15H18BrNOS/c1-2-12(17)9-11-3-5-13(6-4-11)18-10-14-7-8-15(16)19-14/h3-8,12H,2,9-10,17H2,1H3
InChIKeyOLDNYZYHDCRCKT-UHFFFAOYSA-N
XLogP4.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 78937135
1-(5-bromothiophen-2-yl)butan-2-amine
CID 43565983
1-[3-bromo-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 63422250
1-(4-ethoxyphenyl)butan-2-amine
CID 43566029
1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 60906849
1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]-N-methylpropan-1-amine
CID 60887228
1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
CID 54930620
1-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 79700300
1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-2-amine
CID 55095389
1-[4-(4-ethoxyphenoxy)phenyl]butan-2-amine
CID 63816977
1-[3-bromo-4-[(5-chlorothiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 63421902
1-[4-(2-bromoprop-2-enoxy)phenyl]butan-2-amine
CID 60907565

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]butan-2-amine (CID 54930396) is 1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]butan-2-amine is CCC(N)Cc1ccc(OCc2ccc(Br)s2)cc1.
What is the InChIKey of 1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]butan-2-amine?
The InChIKey is OLDNYZYHDCRCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-2-12(17)9-11-3-5-13(6-4-11)18-10-14-7-8-15(16)19-14/h3-8,12H,2,9-10,17H2,1H3.
What are the key properties of 1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]butan-2-amine?
1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]butan-2-amine has a molecular weight of 340.29 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 54930396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).