[1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclopentyl]methanol

C12H18ClNO2 — CID 115358933

IUPAC[1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclopentyl]methanol
SMILESOCC1(CNCc2ccc(Cl)o2)CCCC1
InChIInChI=1S/C12H18ClNO2/c13-11-4-3-10(16-11)7-14-8-12(9-15)5-1-2-6-12/h3-4,14-15H,1-2,5-9H2
InChIKeyNYOMKEAQRDYYCM-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.58
Rot. Bonds5

About [1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclopentyl]methanol

[1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclopentyl]methanol (PubChem CID 115358933) 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]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclopentyl]methanol
PubChem CID115358933
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name[1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclopentyl]methanol
SMILESOCC1(CNCc2ccc(Cl)o2)CCCC1
InChIInChI=1S/C12H18ClNO2/c13-11-4-3-10(16-11)7-14-8-12(9-15)5-1-2-6-12/h3-4,14-15H,1-2,5-9H2
InChIKeyNYOMKEAQRDYYCM-UHFFFAOYSA-N
XLogP2.58
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 62867945
1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621585
1-(5-chlorofuran-2-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735965
1-(5-chlorofuran-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride
CID 115680349
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293557
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol
CID 103965941
[1-[[(4-chlorothiophen-2-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358901
2-[1-[(5-chlorofuran-2-yl)methylamino]cyclobutyl]ethanol
CID 115674021
[1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 103581870
[1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293650
[1-[[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclopropyl]methanol
CID 79479183
[1-[[(4-bromophenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246905

Frequently Asked Questions

What is the IUPAC name of [1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclopentyl]methanol (CID 115358933) is [1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclopentyl]methanol is OCC1(CNCc2ccc(Cl)o2)CCCC1.
What is the InChIKey of [1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclopentyl]methanol?
The InChIKey is NYOMKEAQRDYYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c13-11-4-3-10(16-11)7-14-8-12(9-15)5-1-2-6-12/h3-4,14-15H,1-2,5-9H2.
What are the key properties of [1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclopentyl]methanol?
[1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclopentyl]methanol has a molecular weight of 243.73 g/mol, XLogP of 2.58, 5 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]cyclopentyl]methanol is sourced from PubChem (CID 115358933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).