[5-(2-aminoethyl)thiophen-2-yl]-phenylmethanone;hydrobromide

C13H14BrNOS — CID 72716719

IUPAC[5-(2-aminoethyl)thiophen-2-yl]-phenylmethanone;hydrobromide
SMILESBr.NCCc1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C13H13NOS.BrH/c14-9-8-11-6-7-12(16-11)13(15)10-4-2-1-3-5-10;/h1-7H,8-9,14H2;1H
InChIKeyFNSNQLYDTLMXOO-UHFFFAOYSA-N
MW312.23 g/mol
LogP3.06
Rot. Bonds4

About [5-(2-aminoethyl)thiophen-2-yl]-phenylmethanone;hydrobromide

[5-(2-aminoethyl)thiophen-2-yl]-phenylmethanone;hydrobromide (PubChem CID 72716719) has the molecular formula C13H14BrNOS and a molecular weight of 312.23 g/mol. Its IUPAC name is [5-(2-aminoethyl)thiophen-2-yl]-phenylmethanone;hydrobromide.

Molecular Properties

Compound Name[5-(2-aminoethyl)thiophen-2-yl]-phenylmethanone;hydrobromide
PubChem CID72716719
Molecular FormulaC13H14BrNOS
Molecular Weight312.23 g/mol
Exact Mass311.00
IUPAC Name[5-(2-aminoethyl)thiophen-2-yl]-phenylmethanone;hydrobromide
SMILESBr.NCCc1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C13H13NOS.BrH/c14-9-8-11-6-7-12(16-11)13(15)10-4-2-1-3-5-10;/h1-7H,8-9,14H2;1H
InChIKeyFNSNQLYDTLMXOO-UHFFFAOYSA-N
XLogP3.06
TPSA43.09 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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2-aminoethyl)thiophen-2-yl]-(furan-3-yl)methanone;hydrobromide
CID 72716722
2-(5-benzoylthiophen-2-yl)acetic acid
CID 3751763
[5-(2-aminoethyl)thiophen-2-yl]-(furan-2-yl)methanone;hydrobromide
CID 72716721
(5-benzoylthiophen-2-yl)-phenylmethanone;boranuide
CID 158491316
[5-[(5-benzoylthiophen-2-yl)methyl]-1H-pyrrol-2-yl]-phenylmethanone
CID 58795723
methyl N-[(5-benzoylthiophen-2-yl)methyl]carbamate
CID 90612849
[4-(2-aminoethyl)phenyl]-phenylmethanone
CID 14368635
1-[(5-benzoylthiophen-2-yl)methyl]-3-cyclopropylurea
CID 90613154
1-[(5-benzoylthiophen-2-yl)methyl]-3-propan-2-ylurea
CID 90613156
tert-butyl 5-(2-aminoethyl)thiophene-2-carboxylate;hydrochloride
CID 67398215
diphenylmethanone;propan-1-amine
CID 174497329
cobalt(2+);diphenylmethanone
CID 19033779

Frequently Asked Questions

What is the IUPAC name of [5-(2-aminoethyl)thiophen-2-yl]-phenylmethanone;hydrobromide?
The IUPAC name of [5-(2-aminoethyl)thiophen-2-yl]-phenylmethanone;hydrobromide (CID 72716719) is [5-(2-aminoethyl)thiophen-2-yl]-phenylmethanone;hydrobromide.
What is the SMILES notation for [5-(2-aminoethyl)thiophen-2-yl]-phenylmethanone;hydrobromide?
The canonical SMILES for [5-(2-aminoethyl)thiophen-2-yl]-phenylmethanone;hydrobromide is Br.NCCc1ccc(C(=O)c2ccccc2)s1.
What is the InChIKey of [5-(2-aminoethyl)thiophen-2-yl]-phenylmethanone;hydrobromide?
The InChIKey is FNSNQLYDTLMXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS.BrH/c14-9-8-11-6-7-12(16-11)13(15)10-4-2-1-3-5-10;/h1-7H,8-9,14H2;1H.
What are the key properties of [5-(2-aminoethyl)thiophen-2-yl]-phenylmethanone;hydrobromide?
[5-(2-aminoethyl)thiophen-2-yl]-phenylmethanone;hydrobromide has a molecular weight of 312.23 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-aminoethyl)thiophen-2-yl]-phenylmethanone;hydrobromide is sourced from PubChem (CID 72716719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).