(3-bromothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanamine

C10H12BrNOS — CID 102648987

IUPAC(3-bromothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
SMILESNC(C1=CCCCO1)c1sccc1Br
InChIInChI=1S/C10H12BrNOS/c11-7-4-6-14-10(7)9(12)8-3-1-2-5-13-8/h3-4,6,9H,1-2,5,12H2
InChIKeyMHGXKLOKURCHFL-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.20
Rot. Bonds2

About (3-bromothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanamine

(3-bromothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanamine (PubChem CID 102648987) has the molecular formula C10H12BrNOS and a molecular weight of 274.18 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanamine.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
PubChem CID102648987
Molecular FormulaC10H12BrNOS
Molecular Weight274.18 g/mol
Exact Mass272.98
IUPAC Name(3-bromothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
SMILESNC(C1=CCCCO1)c1sccc1Br
InChIInChI=1S/C10H12BrNOS/c11-7-4-6-14-10(7)9(12)8-3-1-2-5-13-8/h3-4,6,9H,1-2,5,12H2
InChIKeyMHGXKLOKURCHFL-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydrofuran-5-yl-(3-fluorothiophen-2-yl)methanamine
CID 130594693
(4-bromo-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102648870
2,3-dihydrofuran-5-yl(thiophen-2-yl)methanamine
CID 102651186
(2-chlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647320
2-(3-bromophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
CID 102647143
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102649418
(R)-(3-bromothiophen-2-yl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211028
(3,4-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647123
1-(3,4-dihydro-2H-pyran-6-yl)-4-thiophen-2-ylbutan-1-amine
CID 102649485
3,4-dihydro-2H-pyran-6-yl-(2-methoxyphenyl)methanamine
CID 102647076
(2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102648980
(3-bromothiophen-2-yl)-(4-bromothiophen-3-yl)methanamine
CID 105010950

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanamine?
The IUPAC name of (3-bromothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanamine (CID 102648987) is (3-bromothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanamine.
What is the SMILES notation for (3-bromothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanamine?
The canonical SMILES for (3-bromothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanamine is NC(C1=CCCCO1)c1sccc1Br.
What is the InChIKey of (3-bromothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanamine?
The InChIKey is MHGXKLOKURCHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNOS/c11-7-4-6-14-10(7)9(12)8-3-1-2-5-13-8/h3-4,6,9H,1-2,5,12H2.
What are the key properties of (3-bromothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanamine?
(3-bromothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanamine has a molecular weight of 274.18 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanamine is sourced from PubChem (CID 102648987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).