[2-[(4-bromothiophen-2-yl)methylamino]cyclohexyl]methanol

C12H18BrNOS — CID 111440221

IUPAC[2-[(4-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
SMILESOCC1CCCCC1NCc1cc(Br)cs1
InChIInChI=1S/C12H18BrNOS/c13-10-5-11(16-8-10)6-14-12-4-2-1-3-9(12)7-15/h5,8-9,12,14-15H,1-4,6-7H2
InChIKeyANUQWNNBCNNMQC-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.15
Rot. Bonds4

About [2-[(4-bromothiophen-2-yl)methylamino]cyclohexyl]methanol

[2-[(4-bromothiophen-2-yl)methylamino]cyclohexyl]methanol (PubChem CID 111440221) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is [2-[(4-bromothiophen-2-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(4-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
PubChem CID111440221
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name[2-[(4-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
SMILESOCC1CCCCC1NCc1cc(Br)cs1
InChIInChI=1S/C12H18BrNOS/c13-10-5-11(16-8-10)6-14-12-4-2-1-3-9(12)7-15/h5,8-9,12,14-15H,1-4,6-7H2
InChIKeyANUQWNNBCNNMQC-UHFFFAOYSA-N
XLogP3.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[(4-bromothiophen-2-yl)methylamino]cyclohexyl]methanol with MolForge

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Related Compounds

[2-[(4-chlorothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 107166401
[2-[(4-chlorothiophen-2-yl)methylamino]cyclopentyl]methanol
CID 107166449
trans-(1S,2S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 95377382
N-[(4-chlorothiophen-2-yl)methyl]-2-ethylcyclohexan-1-amine
CID 79419374
(3S,4R)-4-[(4-bromothiophen-2-yl)methylamino]oxolan-3-ol
CID 130751579
[2-[(3,4-dibromophenyl)methylamino]cyclohexyl]methanol
CID 113255328
5-[[[(1R,2R)-2-ethylcyclopentyl]amino]methyl]thiophene-3-carboxamide
CID 97236076
2-[(4-bromothiophen-2-yl)methylamino]cyclobutane-1-carboxylic acid
CID 103254834
2-[(4-bromothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine
CID 63403346
(2R,3S)-N-[(4-bromothiophen-2-yl)methyl]-2-methyloxolan-3-amine
CID 97358196
[2-[(4,5-dibromofuran-2-yl)methylamino]cyclopentyl]methanol
CID 106359455
5-[[(2-ethylcyclohexyl)amino]methyl]thiophene-3-carbonitrile
CID 79545724

Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromothiophen-2-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [2-[(4-bromothiophen-2-yl)methylamino]cyclohexyl]methanol (CID 111440221) is [2-[(4-bromothiophen-2-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(4-bromothiophen-2-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [2-[(4-bromothiophen-2-yl)methylamino]cyclohexyl]methanol is OCC1CCCCC1NCc1cc(Br)cs1.
What is the InChIKey of [2-[(4-bromothiophen-2-yl)methylamino]cyclohexyl]methanol?
The InChIKey is ANUQWNNBCNNMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c13-10-5-11(16-8-10)6-14-12-4-2-1-3-9(12)7-15/h5,8-9,12,14-15H,1-4,6-7H2.
What are the key properties of [2-[(4-bromothiophen-2-yl)methylamino]cyclohexyl]methanol?
[2-[(4-bromothiophen-2-yl)methylamino]cyclohexyl]methanol has a molecular weight of 304.25 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromothiophen-2-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 111440221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).