(5-bromothiophen-3-yl)-(2,3-dihydrofuran-4-yl)methanamine

C9H10BrNOS — CID 130579998

IUPAC(5-bromothiophen-3-yl)-(2,3-dihydrofuran-4-yl)methanamine
SMILESNC(C1=COCC1)c1csc(Br)c1
InChIInChI=1S/C9H10BrNOS/c10-8-3-7(5-13-8)9(11)6-1-2-12-4-6/h3-5,9H,1-2,11H2
InChIKeyKXICRJGAVCRODV-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.81
Rot. Bonds2

About (5-bromothiophen-3-yl)-(2,3-dihydrofuran-4-yl)methanamine

(5-bromothiophen-3-yl)-(2,3-dihydrofuran-4-yl)methanamine (PubChem CID 130579998) has the molecular formula C9H10BrNOS and a molecular weight of 260.16 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(2,3-dihydrofuran-4-yl)methanamine.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(2,3-dihydrofuran-4-yl)methanamine
PubChem CID130579998
Molecular FormulaC9H10BrNOS
Molecular Weight260.16 g/mol
Exact Mass258.97
IUPAC Name(5-bromothiophen-3-yl)-(2,3-dihydrofuran-4-yl)methanamine
SMILESNC(C1=COCC1)c1csc(Br)c1
InChIInChI=1S/C9H10BrNOS/c10-8-3-7(5-13-8)9(11)6-1-2-12-4-6/h3-5,9H,1-2,11H2
InChIKeyKXICRJGAVCRODV-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-bromo-3-(trifluoromethyl)phenyl]-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033153
(1R)-1-(5-bromothiophen-3-yl)ethanamine;hydrochloride
CID 154577460
(5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105187279
(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033503
(1R)-1-(5-bromothiophen-3-yl)ethanamine
CID 96861697
2,3-dihydro-1H-inden-5-yl(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033272
(2,4-dibromophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 107946680
(5-bromothiophen-3-yl)-(2,4,6-trifluorophenyl)methanamine
CID 107960534
(R)-(5-bromothiophen-3-yl)-cyclopropylmethanamine
CID 130714035
1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033357
(5-bromo-3-methyltriazol-4-yl)-(2,3-dihydrofuran-4-yl)methanamine
CID 130597665
1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-amine
CID 130579424

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(2,3-dihydrofuran-4-yl)methanamine?
The IUPAC name of (5-bromothiophen-3-yl)-(2,3-dihydrofuran-4-yl)methanamine (CID 130579998) is (5-bromothiophen-3-yl)-(2,3-dihydrofuran-4-yl)methanamine.
What is the SMILES notation for (5-bromothiophen-3-yl)-(2,3-dihydrofuran-4-yl)methanamine?
The canonical SMILES for (5-bromothiophen-3-yl)-(2,3-dihydrofuran-4-yl)methanamine is NC(C1=COCC1)c1csc(Br)c1.
What is the InChIKey of (5-bromothiophen-3-yl)-(2,3-dihydrofuran-4-yl)methanamine?
The InChIKey is KXICRJGAVCRODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNOS/c10-8-3-7(5-13-8)9(11)6-1-2-12-4-6/h3-5,9H,1-2,11H2.
What are the key properties of (5-bromothiophen-3-yl)-(2,3-dihydrofuran-4-yl)methanamine?
(5-bromothiophen-3-yl)-(2,3-dihydrofuran-4-yl)methanamine has a molecular weight of 260.16 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(2,3-dihydrofuran-4-yl)methanamine is sourced from PubChem (CID 130579998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).