1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclohexan-1-ol

C12H18ClNO2 — CID 62867945

IUPAC1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCc2ccc(Cl)o2)CCCCC1
InChIInChI=1S/C12H18ClNO2/c13-11-5-4-10(16-11)8-14-9-12(15)6-2-1-3-7-12/h4-5,14-15H,1-3,6-9H2
InChIKeyUSAYXSKZRBAKHY-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.72
Rot. Bonds4

About 1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclohexan-1-ol

1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 62867945) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID62867945
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCc2ccc(Cl)o2)CCCCC1
InChIInChI=1S/C12H18ClNO2/c13-11-5-4-10(16-11)8-14-9-12(15)6-2-1-3-7-12/h4-5,14-15H,1-3,6-9H2
InChIKeyUSAYXSKZRBAKHY-UHFFFAOYSA-N
XLogP2.72
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621585
[1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358933
1-(5-chlorofuran-2-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735965
5-[[(1-hydroxycyclohexyl)methylamino]methyl]furan-2-carboxylic acid
CID 65107448
1-(5-chlorofuran-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride
CID 115680349
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
3-chloro-2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenol
CID 78960594
1-[[(5-bromofuran-2-yl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65116857
2-[1-[(5-chlorofuran-2-yl)methylamino]cyclobutyl]ethanol
CID 115674021
4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]thian-4-ol
CID 111467012
5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carbonitrile
CID 115653695
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclohexan-1-ol (CID 62867945) is 1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclohexan-1-ol is OC1(CNCc2ccc(Cl)o2)CCCCC1.
What is the InChIKey of 1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is USAYXSKZRBAKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c13-11-5-4-10(16-11)8-14-9-12(15)6-2-1-3-7-12/h4-5,14-15H,1-3,6-9H2.
What are the key properties of 1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclohexan-1-ol?
1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 243.73 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 62867945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).