1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol

C14H21BrClNOS — CID 102836147

IUPAC1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNCc2cc(Br)c(Cl)s2)CC1
InChIInChI=1S/C14H21BrClNOS/c1-2-10-3-5-14(18,6-4-10)9-17-8-11-7-12(15)13(16)19-11/h7,10,17-18H,2-6,8-9H2,1H3
InChIKeyAMFCDFQNMCZDRY-UHFFFAOYSA-N
MW366.75 g/mol
LogP4.58
Rot. Bonds5

About 1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol

1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol (PubChem CID 102836147) has the molecular formula C14H21BrClNOS and a molecular weight of 366.75 g/mol. Its IUPAC name is 1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol
PubChem CID102836147
Molecular FormulaC14H21BrClNOS
Molecular Weight366.75 g/mol
Exact Mass365.02
IUPAC Name1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNCc2cc(Br)c(Cl)s2)CC1
InChIInChI=1S/C14H21BrClNOS/c1-2-10-3-5-14(18,6-4-10)9-17-8-11-7-12(15)13(16)19-11/h7,10,17-18H,2-6,8-9H2,1H3
InChIKeyAMFCDFQNMCZDRY-UHFFFAOYSA-N
XLogP4.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.75
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol with MolForge

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Related Compounds

1-[[(5-Bromothiophen-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 51891965
1-[[1-(5-Chlorothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 54954359
1-[[(5-Chlorothiophen-2-yl)methylamino]methyl]cycloheptan-1-ol
CID 60744293
1-[[(4-Bromothiophen-2-yl)methylamino]methyl]cycloheptan-1-ol
CID 60971273
1-[[(4-Bromothiophen-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 61518514
1-[[(5-Chlorothiophen-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 61518929
1-[[(4-Bromothiophen-2-yl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63931657
1-[[(5-Bromothiophen-2-yl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63931864
1-[[(5-Chlorothiophen-2-yl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63934126
1-[[1-(5-Bromothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 65107290
1-[[1-(5-Chlorothiophen-2-yl)ethylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115269
1-[[1-(3-Bromothiophen-2-yl)ethylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115460

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol (CID 102836147) is 1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(CNCc2cc(Br)c(Cl)s2)CC1.
What is the InChIKey of 1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is AMFCDFQNMCZDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClNOS/c1-2-10-3-5-14(18,6-4-10)9-17-8-11-7-12(15)13(16)19-11/h7,10,17-18H,2-6,8-9H2,1H3.
What are the key properties of 1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol?
1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 366.75 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 102836147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).