N-[1-(4-bromothiophen-2-yl)ethyl]cyclopropanamine

C9H12BrNS — CID 107167098

IUPACN-[1-(4-bromothiophen-2-yl)ethyl]cyclopropanamine
SMILESCC(NC1CC1)c1cc(Br)cs1
InChIInChI=1S/C9H12BrNS/c1-6(11-8-2-3-8)9-4-7(10)5-12-9/h4-6,8,11H,2-3H2,1H3
InChIKeyVWXXBEYSYQRPBH-UHFFFAOYSA-N
MW246.17 g/mol
LogP3.32
Rot. Bonds3

About N-[1-(4-bromothiophen-2-yl)ethyl]cyclopropanamine

N-[1-(4-bromothiophen-2-yl)ethyl]cyclopropanamine (PubChem CID 107167098) has the molecular formula C9H12BrNS and a molecular weight of 246.17 g/mol. Its IUPAC name is N-[1-(4-bromothiophen-2-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(4-bromothiophen-2-yl)ethyl]cyclopropanamine
PubChem CID107167098
Molecular FormulaC9H12BrNS
Molecular Weight246.17 g/mol
Exact Mass244.99
IUPAC NameN-[1-(4-bromothiophen-2-yl)ethyl]cyclopropanamine
SMILESCC(NC1CC1)c1cc(Br)cs1
InChIInChI=1S/C9H12BrNS/c1-6(11-8-2-3-8)9-4-7(10)5-12-9/h4-6,8,11H,2-3H2,1H3
InChIKeyVWXXBEYSYQRPBH-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]cyclopropanamine (CID 107167098) is N-[1-(4-bromothiophen-2-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[1-(4-bromothiophen-2-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[1-(4-bromothiophen-2-yl)ethyl]cyclopropanamine is CC(NC1CC1)c1cc(Br)cs1.
What is the InChIKey of N-[1-(4-bromothiophen-2-yl)ethyl]cyclopropanamine?
The InChIKey is VWXXBEYSYQRPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNS/c1-6(11-8-2-3-8)9-4-7(10)5-12-9/h4-6,8,11H,2-3H2,1H3.
What are the key properties of N-[1-(4-bromothiophen-2-yl)ethyl]cyclopropanamine?
N-[1-(4-bromothiophen-2-yl)ethyl]cyclopropanamine has a molecular weight of 246.17 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromothiophen-2-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 107167098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).