[1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopropyl]methanol

C10H13Br2NOS — CID 102836979

IUPAC[1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCc2cc(Br)c(Br)s2)CC1
InChIInChI=1S/C10H13Br2NOS/c11-8-3-7(15-9(8)12)4-13-5-10(6-14)1-2-10/h3,13-14H,1-2,4-6H2
InChIKeyHCXAVYFZRTVWFW-UHFFFAOYSA-N
MW355.10 g/mol
LogP3.14
Rot. Bonds5

About [1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopropyl]methanol

[1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopropyl]methanol (PubChem CID 102836979) has the molecular formula C10H13Br2NOS and a molecular weight of 355.10 g/mol. Its IUPAC name is [1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopropyl]methanol
PubChem CID102836979
Molecular FormulaC10H13Br2NOS
Molecular Weight355.10 g/mol
Exact Mass352.91
IUPAC Name[1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCc2cc(Br)c(Br)s2)CC1
InChIInChI=1S/C10H13Br2NOS/c11-8-3-7(15-9(8)12)4-13-5-10(6-14)1-2-10/h3,13-14H,1-2,4-6H2
InChIKeyHCXAVYFZRTVWFW-UHFFFAOYSA-N
XLogP3.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.10
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopropyl]methanol with MolForge

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Related Compounds

[1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexyl]methanol
CID 102837247
1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 102836123
1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cycloheptan-1-ol
CID 102836156
2-[(4,5-dibromothiophen-2-yl)methylamino]propane-1,3-diol
CID 102836172
[1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol
CID 79479291
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(oxan-4-yl)methanamine
CID 102835764
[1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 103581870
2-[(4,5-dibromothiophen-2-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107851057
2-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]-2-ethylbutan-1-ol
CID 106252242
[1-[[(4-chlorothiophen-2-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358901
[1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclopropyl]methanol
CID 115243640
2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 102836218

Frequently Asked Questions

What is the IUPAC name of [1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopropyl]methanol (CID 102836979) is [1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopropyl]methanol is OCC1(CNCc2cc(Br)c(Br)s2)CC1.
What is the InChIKey of [1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopropyl]methanol?
The InChIKey is HCXAVYFZRTVWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NOS/c11-8-3-7(15-9(8)12)4-13-5-10(6-14)1-2-10/h3,13-14H,1-2,4-6H2.
What are the key properties of [1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopropyl]methanol?
[1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopropyl]methanol has a molecular weight of 355.10 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 102836979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).