N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-methylpropan-2-amine

C10H16BrNS — CID 79981229

IUPACN-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-methylpropan-2-amine
SMILESCc1cc(CNC(C)(C)C)sc1Br
InChIInChI=1S/C10H16BrNS/c1-7-5-8(13-9(7)11)6-12-10(2,3)4/h5,12H,6H2,1-4H3
InChIKeyDJHUIPFNCWWWBN-UHFFFAOYSA-N
MW262.22 g/mol
LogP3.71
Rot. Bonds2

About N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-methylpropan-2-amine

N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-methylpropan-2-amine (PubChem CID 79981229) has the molecular formula C10H16BrNS and a molecular weight of 262.22 g/mol. Its IUPAC name is N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-methylpropan-2-amine
PubChem CID79981229
Molecular FormulaC10H16BrNS
Molecular Weight262.22 g/mol
Exact Mass261.02
IUPAC NameN-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-methylpropan-2-amine
SMILESCc1cc(CNC(C)(C)C)sc1Br
InChIInChI=1S/C10H16BrNS/c1-7-5-8(13-9(7)11)6-12-10(2,3)4/h5,12H,6H2,1-4H3
InChIKeyDJHUIPFNCWWWBN-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-2-methylpentan-1-ol
CID 115710888
N-[(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine
CID 79982113
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-4-methylpyridin-2-amine
CID 115735513
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2,2-difluoroethanamine
CID 115407076
(2S)-2-[(5-bromo-4-methylthiophen-2-yl)methylamino]propan-1-ol
CID 103778243
2-bromo-N-[(5-bromo-4-methylthiophen-2-yl)methyl]prop-2-en-1-amine
CID 115710741
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 79981814
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1,1-dicyclopropylmethanamine
CID 115710605
N-[(5-bromo-4-methylthiophen-2-yl)methyl]but-3-en-2-amine
CID 115711129
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-4-methyloxan-4-amine
CID 115758057
N-[2-[5-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 79997125
2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-N,N-dimethylacetamide
CID 115710447

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-methylpropan-2-amine (CID 79981229) is N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-methylpropan-2-amine is Cc1cc(CNC(C)(C)C)sc1Br.
What is the InChIKey of N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is DJHUIPFNCWWWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNS/c1-7-5-8(13-9(7)11)6-12-10(2,3)4/h5,12H,6H2,1-4H3.
What are the key properties of N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-methylpropan-2-amine?
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 262.22 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79981229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).