N-[(3-bromothiophen-2-yl)methyl]-N-ethylazetidin-3-amine

C10H15BrN2S — CID 66182570

IUPACN-[(3-bromothiophen-2-yl)methyl]-N-ethylazetidin-3-amine
SMILESCCN(Cc1sccc1Br)C1CNC1
InChIInChI=1S/C10H15BrN2S/c1-2-13(8-5-12-6-8)7-10-9(11)3-4-14-10/h3-4,8,12H,2,5-7H2,1H3
InChIKeyPWNWKRWPKRCAAD-UHFFFAOYSA-N
MW275.21 g/mol
LogP2.30
Rot. Bonds4

About N-[(3-bromothiophen-2-yl)methyl]-N-ethylazetidin-3-amine

N-[(3-bromothiophen-2-yl)methyl]-N-ethylazetidin-3-amine (PubChem CID 66182570) has the molecular formula C10H15BrN2S and a molecular weight of 275.21 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-N-ethylazetidin-3-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-N-ethylazetidin-3-amine
PubChem CID66182570
Molecular FormulaC10H15BrN2S
Molecular Weight275.21 g/mol
Exact Mass274.01
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-N-ethylazetidin-3-amine
SMILESCCN(Cc1sccc1Br)C1CNC1
InChIInChI=1S/C10H15BrN2S/c1-2-13(8-5-12-6-8)7-10-9(11)3-4-14-10/h3-4,8,12H,2,5-7H2,1H3
InChIKeyPWNWKRWPKRCAAD-UHFFFAOYSA-N
XLogP2.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-N-ethylazetidin-3-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-N-ethylazetidin-3-amine (CID 66182570) is N-[(3-bromothiophen-2-yl)methyl]-N-ethylazetidin-3-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-N-ethylazetidin-3-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-N-ethylazetidin-3-amine is CCN(Cc1sccc1Br)C1CNC1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-N-ethylazetidin-3-amine?
The InChIKey is PWNWKRWPKRCAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2S/c1-2-13(8-5-12-6-8)7-10-9(11)3-4-14-10/h3-4,8,12H,2,5-7H2,1H3.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-N-ethylazetidin-3-amine?
N-[(3-bromothiophen-2-yl)methyl]-N-ethylazetidin-3-amine has a molecular weight of 275.21 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-N-ethylazetidin-3-amine is sourced from PubChem (CID 66182570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).