N-[3-(4-bromothiophen-2-yl)-2-fluoropropyl]-2-methylpropan-2-amine

C11H17BrFNS — CID 107446777

IUPACN-[3-(4-bromothiophen-2-yl)-2-fluoropropyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)Cc1cc(Br)cs1
InChIInChI=1S/C11H17BrFNS/c1-11(2,3)14-6-9(13)5-10-4-8(12)7-15-10/h4,7,9,14H,5-6H2,1-3H3
InChIKeyDIEJMELESSEVTQ-UHFFFAOYSA-N
MW294.23 g/mol
LogP3.78
Rot. Bonds4

About N-[3-(4-bromothiophen-2-yl)-2-fluoropropyl]-2-methylpropan-2-amine

N-[3-(4-bromothiophen-2-yl)-2-fluoropropyl]-2-methylpropan-2-amine (PubChem CID 107446777) has the molecular formula C11H17BrFNS and a molecular weight of 294.23 g/mol. Its IUPAC name is N-[3-(4-bromothiophen-2-yl)-2-fluoropropyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(4-bromothiophen-2-yl)-2-fluoropropyl]-2-methylpropan-2-amine
PubChem CID107446777
Molecular FormulaC11H17BrFNS
Molecular Weight294.23 g/mol
Exact Mass293.02
IUPAC NameN-[3-(4-bromothiophen-2-yl)-2-fluoropropyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)Cc1cc(Br)cs1
InChIInChI=1S/C11H17BrFNS/c1-11(2,3)14-6-9(13)5-10-4-8(12)7-15-10/h4,7,9,14H,5-6H2,1-3H3
InChIKeyDIEJMELESSEVTQ-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromothiophen-2-yl)-2-fluoropropyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-(4-bromothiophen-2-yl)-2-fluoropropyl]-2-methylpropan-2-amine (CID 107446777) is N-[3-(4-bromothiophen-2-yl)-2-fluoropropyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(4-bromothiophen-2-yl)-2-fluoropropyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(4-bromothiophen-2-yl)-2-fluoropropyl]-2-methylpropan-2-amine is CC(C)(C)NCC(F)Cc1cc(Br)cs1.
What is the InChIKey of N-[3-(4-bromothiophen-2-yl)-2-fluoropropyl]-2-methylpropan-2-amine?
The InChIKey is DIEJMELESSEVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrFNS/c1-11(2,3)14-6-9(13)5-10-4-8(12)7-15-10/h4,7,9,14H,5-6H2,1-3H3.
What are the key properties of N-[3-(4-bromothiophen-2-yl)-2-fluoropropyl]-2-methylpropan-2-amine?
N-[3-(4-bromothiophen-2-yl)-2-fluoropropyl]-2-methylpropan-2-amine has a molecular weight of 294.23 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromothiophen-2-yl)-2-fluoropropyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107446777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).