[1-(aminomethyl)-3-methylcyclohexyl]-(4,5-dibromofuran-2-yl)methanol

C13H19Br2NO2 — CID 79134896

IUPAC[1-(aminomethyl)-3-methylcyclohexyl]-(4,5-dibromofuran-2-yl)methanol
SMILESCC1CCCC(CN)(C(O)c2cc(Br)c(Br)o2)C1
InChIInChI=1S/C13H19Br2NO2/c1-8-3-2-4-13(6-8,7-16)11(17)10-5-9(14)12(15)18-10/h5,8,11,17H,2-4,6-7,16H2,1H3
InChIKeyOUGMBXQKQXOSAS-UHFFFAOYSA-N
MW381.11 g/mol
LogP3.99
Rot. Bonds3

About [1-(aminomethyl)-3-methylcyclohexyl]-(4,5-dibromofuran-2-yl)methanol

[1-(aminomethyl)-3-methylcyclohexyl]-(4,5-dibromofuran-2-yl)methanol (PubChem CID 79134896) has the molecular formula C13H19Br2NO2 and a molecular weight of 381.11 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclohexyl]-(4,5-dibromofuran-2-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclohexyl]-(4,5-dibromofuran-2-yl)methanol
PubChem CID79134896
Molecular FormulaC13H19Br2NO2
Molecular Weight381.11 g/mol
Exact Mass378.98
IUPAC Name[1-(aminomethyl)-3-methylcyclohexyl]-(4,5-dibromofuran-2-yl)methanol
SMILESCC1CCCC(CN)(C(O)c2cc(Br)c(Br)o2)C1
InChIInChI=1S/C13H19Br2NO2/c1-8-3-2-4-13(6-8,7-16)11(17)10-5-9(14)12(15)18-10/h5,8,11,17H,2-4,6-7,16H2,1H3
InChIKeyOUGMBXQKQXOSAS-UHFFFAOYSA-N
XLogP3.99
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.11
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)oxan-4-yl]-(4,5-dibromofuran-2-yl)methanol
CID 79134897
[1-(aminomethyl)-3-methylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 102845386
[1-(aminomethyl)-3-methylcyclohexyl]-(3,5-dimethoxyphenyl)methanol
CID 79123902
[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylphenyl)methanol
CID 79138054
[1-(aminomethyl)-3-methylcyclohexyl]-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 79137707
[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylthiophen-2-yl)methanol
CID 79137952
[1-(aminomethyl)-3-methylcyclohexyl]-(1-benzothiophen-3-yl)methanol
CID 79138166
[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-(4,5-dibromofuran-2-yl)methanol
CID 79126355
[1-(aminomethyl)-3-methylcyclohexyl]-quinolin-4-ylmethanol
CID 79124145
[1-(aminomethyl)-3-methylcyclohexyl]-(6-methoxy-2-pyridinyl)methanol
CID 103348712
[1-(aminomethyl)-3-methylcyclohexyl]-(thiolan-3-yl)methanol
CID 107133800
[1-(aminomethyl)-3-ethylcyclohexyl]-(3-bromofuran-2-yl)methanol
CID 106889658

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclohexyl]-(4,5-dibromofuran-2-yl)methanol?
The IUPAC name of [1-(aminomethyl)-3-methylcyclohexyl]-(4,5-dibromofuran-2-yl)methanol (CID 79134896) is [1-(aminomethyl)-3-methylcyclohexyl]-(4,5-dibromofuran-2-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclohexyl]-(4,5-dibromofuran-2-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclohexyl]-(4,5-dibromofuran-2-yl)methanol is CC1CCCC(CN)(C(O)c2cc(Br)c(Br)o2)C1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclohexyl]-(4,5-dibromofuran-2-yl)methanol?
The InChIKey is OUGMBXQKQXOSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2NO2/c1-8-3-2-4-13(6-8,7-16)11(17)10-5-9(14)12(15)18-10/h5,8,11,17H,2-4,6-7,16H2,1H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclohexyl]-(4,5-dibromofuran-2-yl)methanol?
[1-(aminomethyl)-3-methylcyclohexyl]-(4,5-dibromofuran-2-yl)methanol has a molecular weight of 381.11 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-methylcyclohexyl]-(4,5-dibromofuran-2-yl)methanol is sourced from PubChem (CID 79134896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).