2-bromo-N-[(5-bromo-4-methylthiophen-2-yl)methyl]prop-2-en-1-amine

C9H11Br2NS — CID 115710741

IUPAC2-bromo-N-[(5-bromo-4-methylthiophen-2-yl)methyl]prop-2-en-1-amine
SMILESC=C(Br)CNCc1cc(C)c(Br)s1
InChIInChI=1S/C9H11Br2NS/c1-6-3-8(13-9(6)11)5-12-4-7(2)10/h3,12H,2,4-5H2,1H3
InChIKeyIZYATPSVIBFMCK-UHFFFAOYSA-N
MW325.07 g/mol
LogP3.82
Rot. Bonds4

About 2-bromo-N-[(5-bromo-4-methylthiophen-2-yl)methyl]prop-2-en-1-amine

2-bromo-N-[(5-bromo-4-methylthiophen-2-yl)methyl]prop-2-en-1-amine (PubChem CID 115710741) has the molecular formula C9H11Br2NS and a molecular weight of 325.07 g/mol. Its IUPAC name is 2-bromo-N-[(5-bromo-4-methylthiophen-2-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-bromo-N-[(5-bromo-4-methylthiophen-2-yl)methyl]prop-2-en-1-amine
PubChem CID115710741
Molecular FormulaC9H11Br2NS
Molecular Weight325.07 g/mol
Exact Mass322.90
IUPAC Name2-bromo-N-[(5-bromo-4-methylthiophen-2-yl)methyl]prop-2-en-1-amine
SMILESC=C(Br)CNCc1cc(C)c(Br)s1
InChIInChI=1S/C9H11Br2NS/c1-6-3-8(13-9(6)11)5-12-4-7(2)10/h3,12H,2,4-5H2,1H3
InChIKeyIZYATPSVIBFMCK-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.07
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine
CID 79982113
2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-N,N-dimethylacetamide
CID 115710447
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2,2-difluoroethanamine
CID 115407076
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 65243483
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 79981814
N-[(5-bromo-4-methylthiophen-2-yl)methyl]but-3-en-2-amine
CID 115711129
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-(thian-4-yl)methanamine
CID 115710864
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-methylpropan-2-amine
CID 79981229
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 115710507
(2S)-2-[(5-bromo-4-methylthiophen-2-yl)methylamino]propan-1-ol
CID 103778243
2-bromo-N-[(2,6-dimethylphenyl)methyl]prop-2-en-1-amine
CID 115897820
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-4-methyloxan-4-amine
CID 115758057

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-bromo-4-methylthiophen-2-yl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-bromo-N-[(5-bromo-4-methylthiophen-2-yl)methyl]prop-2-en-1-amine (CID 115710741) is 2-bromo-N-[(5-bromo-4-methylthiophen-2-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-bromo-N-[(5-bromo-4-methylthiophen-2-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-bromo-N-[(5-bromo-4-methylthiophen-2-yl)methyl]prop-2-en-1-amine is C=C(Br)CNCc1cc(C)c(Br)s1.
What is the InChIKey of 2-bromo-N-[(5-bromo-4-methylthiophen-2-yl)methyl]prop-2-en-1-amine?
The InChIKey is IZYATPSVIBFMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2NS/c1-6-3-8(13-9(6)11)5-12-4-7(2)10/h3,12H,2,4-5H2,1H3.
What are the key properties of 2-bromo-N-[(5-bromo-4-methylthiophen-2-yl)methyl]prop-2-en-1-amine?
2-bromo-N-[(5-bromo-4-methylthiophen-2-yl)methyl]prop-2-en-1-amine has a molecular weight of 325.07 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5-bromo-4-methylthiophen-2-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 115710741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).