N-[1-(5-bromothiophen-2-yl)ethyl]-2-methyloxan-4-amine

C12H18BrNOS — CID 103907162

IUPACN-[1-(5-bromothiophen-2-yl)ethyl]-2-methyloxan-4-amine
SMILESCC1CC(NC(C)c2ccc(Br)s2)CCO1
InChIInChI=1S/C12H18BrNOS/c1-8-7-10(5-6-15-8)14-9(2)11-3-4-12(13)16-11/h3-4,8-10,14H,5-7H2,1-2H3
InChIKeyHSEISOCYRCBAPT-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.73
Rot. Bonds3

About N-[1-(5-bromothiophen-2-yl)ethyl]-2-methyloxan-4-amine

N-[1-(5-bromothiophen-2-yl)ethyl]-2-methyloxan-4-amine (PubChem CID 103907162) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-2-yl)ethyl]-2-methyloxan-4-amine.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-2-yl)ethyl]-2-methyloxan-4-amine
PubChem CID103907162
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC NameN-[1-(5-bromothiophen-2-yl)ethyl]-2-methyloxan-4-amine
SMILESCC1CC(NC(C)c2ccc(Br)s2)CCO1
InChIInChI=1S/C12H18BrNOS/c1-8-7-10(5-6-15-8)14-9(2)11-3-4-12(13)16-11/h3-4,8-10,14H,5-7H2,1-2H3
InChIKeyHSEISOCYRCBAPT-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-2-methyloxan-4-amine?
The IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-2-methyloxan-4-amine (CID 103907162) is N-[1-(5-bromothiophen-2-yl)ethyl]-2-methyloxan-4-amine.
What is the SMILES notation for N-[1-(5-bromothiophen-2-yl)ethyl]-2-methyloxan-4-amine?
The canonical SMILES for N-[1-(5-bromothiophen-2-yl)ethyl]-2-methyloxan-4-amine is CC1CC(NC(C)c2ccc(Br)s2)CCO1.
What is the InChIKey of N-[1-(5-bromothiophen-2-yl)ethyl]-2-methyloxan-4-amine?
The InChIKey is HSEISOCYRCBAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-8-7-10(5-6-15-8)14-9(2)11-3-4-12(13)16-11/h3-4,8-10,14H,5-7H2,1-2H3.
What are the key properties of N-[1-(5-bromothiophen-2-yl)ethyl]-2-methyloxan-4-amine?
N-[1-(5-bromothiophen-2-yl)ethyl]-2-methyloxan-4-amine has a molecular weight of 304.25 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromothiophen-2-yl)ethyl]-2-methyloxan-4-amine is sourced from PubChem (CID 103907162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).