[4-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]methanol

C12H18BrNOS — CID 103753139

IUPAC[4-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
SMILESOCC1CCC(NCc2ccc(Br)s2)CC1
InChIInChI=1S/C12H18BrNOS/c13-12-6-5-11(16-12)7-14-10-3-1-9(8-15)2-4-10/h5-6,9-10,14-15H,1-4,7-8H2
InChIKeyKERMBAATAVRMPO-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.15
Rot. Bonds4

About [4-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]methanol

[4-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]methanol (PubChem CID 103753139) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is [4-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
PubChem CID103753139
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name[4-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
SMILESOCC1CCC(NCc2ccc(Br)s2)CC1
InChIInChI=1S/C12H18BrNOS/c13-12-6-5-11(16-12)7-14-10-3-1-9(8-15)2-4-10/h5-6,9-10,14-15H,1-4,7-8H2
InChIKeyKERMBAATAVRMPO-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 [4-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63452327
4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 62314221
N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
N-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
CID 64501545
N-[(5-bromothiophen-2-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091163
N-[(5-bromothiophen-2-yl)methyl]azepan-4-amine
CID 103981707
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpiperidin-4-amine
CID 43234226
N-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine
CID 63624209
[4-[(5-bromothiophen-2-yl)methoxy]cyclohexyl]methanol
CID 106825565
2-[(5-bromothiophen-2-yl)methylamino]cycloheptan-1-ol
CID 61012171
N-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083500
N-[[4-[(5-bromothiophen-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 60882902

Frequently Asked Questions

What is the IUPAC name of [4-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [4-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]methanol (CID 103753139) is [4-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [4-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [4-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]methanol is OCC1CCC(NCc2ccc(Br)s2)CC1.
What is the InChIKey of [4-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]methanol?
The InChIKey is KERMBAATAVRMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c13-12-6-5-11(16-12)7-14-10-3-1-9(8-15)2-4-10/h5-6,9-10,14-15H,1-4,7-8H2.
What are the key properties of [4-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]methanol?
[4-[(5-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 [4-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 103753139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).