(5-bromothiophen-2-yl)-(4-phenoxyphenyl)methanamine

C17H14BrNOS — CID 43464127

IUPAC(5-bromothiophen-2-yl)-(4-phenoxyphenyl)methanamine
SMILESNC(c1ccc(Oc2ccccc2)cc1)c1ccc(Br)s1
InChIInChI=1S/C17H14BrNOS/c18-16-11-10-15(21-16)17(19)12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-11,17H,19H2
InChIKeyPXRWLSBIDINXDN-UHFFFAOYSA-N
MW360.28 g/mol
LogP5.35
Rot. Bonds4

About (5-bromothiophen-2-yl)-(4-phenoxyphenyl)methanamine

(5-bromothiophen-2-yl)-(4-phenoxyphenyl)methanamine (PubChem CID 43464127) has the molecular formula C17H14BrNOS and a molecular weight of 360.28 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(4-phenoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(4-phenoxyphenyl)methanamine
PubChem CID43464127
Molecular FormulaC17H14BrNOS
Molecular Weight360.28 g/mol
Exact Mass359.00
IUPAC Name(5-bromothiophen-2-yl)-(4-phenoxyphenyl)methanamine
SMILESNC(c1ccc(Oc2ccccc2)cc1)c1ccc(Br)s1
InChIInChI=1S/C17H14BrNOS/c18-16-11-10-15(21-16)17(19)12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-11,17H,19H2
InChIKeyPXRWLSBIDINXDN-UHFFFAOYSA-N
XLogP5.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.28
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(4-phenoxyphenyl)methanamine?
The IUPAC name of (5-bromothiophen-2-yl)-(4-phenoxyphenyl)methanamine (CID 43464127) is (5-bromothiophen-2-yl)-(4-phenoxyphenyl)methanamine.
What is the SMILES notation for (5-bromothiophen-2-yl)-(4-phenoxyphenyl)methanamine?
The canonical SMILES for (5-bromothiophen-2-yl)-(4-phenoxyphenyl)methanamine is NC(c1ccc(Oc2ccccc2)cc1)c1ccc(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl)-(4-phenoxyphenyl)methanamine?
The InChIKey is PXRWLSBIDINXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNOS/c18-16-11-10-15(21-16)17(19)12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-11,17H,19H2.
What are the key properties of (5-bromothiophen-2-yl)-(4-phenoxyphenyl)methanamine?
(5-bromothiophen-2-yl)-(4-phenoxyphenyl)methanamine has a molecular weight of 360.28 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(4-phenoxyphenyl)methanamine is sourced from PubChem (CID 43464127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).