[3-(aminomethyl)oxetan-3-yl]-(4-bromothiophen-2-yl)methanamine

C9H13BrN2OS — CID 116944962

IUPAC[3-(aminomethyl)oxetan-3-yl]-(4-bromothiophen-2-yl)methanamine
SMILESNCC1(C(N)c2cc(Br)cs2)COC1
InChIInChI=1S/C9H13BrN2OS/c10-6-1-7(14-2-6)8(12)9(3-11)4-13-5-9/h1-2,8H,3-5,11-12H2
InChIKeyJIMBMWHOFUBBNJ-UHFFFAOYSA-N
MW277.19 g/mol
LogP1.49
Rot. Bonds3

About [3-(aminomethyl)oxetan-3-yl]-(4-bromothiophen-2-yl)methanamine

[3-(aminomethyl)oxetan-3-yl]-(4-bromothiophen-2-yl)methanamine (PubChem CID 116944962) has the molecular formula C9H13BrN2OS and a molecular weight of 277.19 g/mol. Its IUPAC name is [3-(aminomethyl)oxetan-3-yl]-(4-bromothiophen-2-yl)methanamine.

Molecular Properties

Compound Name[3-(aminomethyl)oxetan-3-yl]-(4-bromothiophen-2-yl)methanamine
PubChem CID116944962
Molecular FormulaC9H13BrN2OS
Molecular Weight277.19 g/mol
Exact Mass275.99
IUPAC Name[3-(aminomethyl)oxetan-3-yl]-(4-bromothiophen-2-yl)methanamine
SMILESNCC1(C(N)c2cc(Br)cs2)COC1
InChIInChI=1S/C9H13BrN2OS/c10-6-1-7(14-2-6)8(12)9(3-11)4-13-5-9/h1-2,8H,3-5,11-12H2
InChIKeyJIMBMWHOFUBBNJ-UHFFFAOYSA-N
XLogP1.49
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanamine
CID 82295003
[3-(4-bromothiophen-2-yl)oxetan-3-yl]methanamine
CID 116829631
[3-[(4-bromothiophen-2-yl)-(dimethylamino)methyl]oxetan-3-yl]methanol
CID 116912982
(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine
CID 131145468
[3-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]oxetan-3-yl]methanamine
CID 116902971
1-(4-bromothiophen-2-yl)-2-piperidin-4-ylethanamine
CID 116936486
(1S)-1-(4-bromothiophen-2-yl)ethanamine
CID 64712232
(1R,2S)-1-(4-bromothiophen-2-yl)-2-cyclopropylethane-1,2-diamine
CID 131000476
[1-[3-(4-bromothiophen-2-yl)oxetan-3-yl]cyclobutyl]methanamine
CID 116874944
2-(4-bromothiophen-2-yl)-2-(oxetan-3-ylsulfanyl)ethanamine
CID 79326165
[3-(aminomethyl)oxetan-3-yl]-(2-fluorophenyl)methanamine
CID 116944998
(1S)-1-(4-bromothiophen-2-yl)ethanamine;hydrochloride
CID 155903190

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)oxetan-3-yl]-(4-bromothiophen-2-yl)methanamine?
The IUPAC name of [3-(aminomethyl)oxetan-3-yl]-(4-bromothiophen-2-yl)methanamine (CID 116944962) is [3-(aminomethyl)oxetan-3-yl]-(4-bromothiophen-2-yl)methanamine.
What is the SMILES notation for [3-(aminomethyl)oxetan-3-yl]-(4-bromothiophen-2-yl)methanamine?
The canonical SMILES for [3-(aminomethyl)oxetan-3-yl]-(4-bromothiophen-2-yl)methanamine is NCC1(C(N)c2cc(Br)cs2)COC1.
What is the InChIKey of [3-(aminomethyl)oxetan-3-yl]-(4-bromothiophen-2-yl)methanamine?
The InChIKey is JIMBMWHOFUBBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS/c10-6-1-7(14-2-6)8(12)9(3-11)4-13-5-9/h1-2,8H,3-5,11-12H2.
What are the key properties of [3-(aminomethyl)oxetan-3-yl]-(4-bromothiophen-2-yl)methanamine?
[3-(aminomethyl)oxetan-3-yl]-(4-bromothiophen-2-yl)methanamine has a molecular weight of 277.19 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)oxetan-3-yl]-(4-bromothiophen-2-yl)methanamine is sourced from PubChem (CID 116944962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).