[5-(3-chlorophenyl)furan-2-yl]methyl-cyclopentylazanium

C16H19ClNO+ — CID 8622800

IUPAC[5-(3-chlorophenyl)furan-2-yl]methyl-cyclopentylazanium
SMILESClc1cccc(-c2ccc(C[NH2+]C3CCCC3)o2)c1
InChIInChI=1S/C16H18ClNO/c17-13-5-3-4-12(10-13)16-9-8-15(19-16)11-18-14-6-1-2-7-14/h3-5,8-10,14,18H,1-2,6-7,11H2/p+1
InChIKeyGMIQRHSYDGDYIU-UHFFFAOYSA-O
MW276.79 g/mol
LogP3.61
Rot. Bonds4

About [5-(3-chlorophenyl)furan-2-yl]methyl-cyclopentylazanium

[5-(3-chlorophenyl)furan-2-yl]methyl-cyclopentylazanium (PubChem CID 8622800) has the molecular formula C16H19ClNO+ and a molecular weight of 276.79 g/mol. Its IUPAC name is [5-(3-chlorophenyl)furan-2-yl]methyl-cyclopentylazanium.

Molecular Properties

Compound Name[5-(3-chlorophenyl)furan-2-yl]methyl-cyclopentylazanium
PubChem CID8622800
Molecular FormulaC16H19ClNO+
Molecular Weight276.79 g/mol
Exact Mass276.11
IUPAC Name[5-(3-chlorophenyl)furan-2-yl]methyl-cyclopentylazanium
SMILESClc1cccc(-c2ccc(C[NH2+]C3CCCC3)o2)c1
InChIInChI=1S/C16H18ClNO/c17-13-5-3-4-12(10-13)16-9-8-15(19-16)11-18-14-6-1-2-7-14/h3-5,8-10,14,18H,1-2,6-7,11H2/p+1
InChIKeyGMIQRHSYDGDYIU-UHFFFAOYSA-O
XLogP3.61
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclooctyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium
CID 8637118
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]cycloheptanamine;hydrochloride
CID 17332202
[5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-cyclopentylazanium
CID 8638620
[5-(3-chlorophenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium
CID 7380206
cyclohexyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium
CID 7425297
[5-(3-chlorophenyl)furan-2-yl]methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]azanium
CID 8622786
[(1R)-1-(1-adamantyl)ethyl]-[[5-(3-chlorophenyl)furan-2-yl]methyl]azanium
CID 8622776
[5-(3-chlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium
CID 8622846
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]adamantan-1-amine
CID 4723694
[5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium
CID 8622860
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 17215860
(3R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1,1-dioxothiolan-3-amine
CID 42278713

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)furan-2-yl]methyl-cyclopentylazanium?
The IUPAC name of [5-(3-chlorophenyl)furan-2-yl]methyl-cyclopentylazanium (CID 8622800) is [5-(3-chlorophenyl)furan-2-yl]methyl-cyclopentylazanium.
What is the SMILES notation for [5-(3-chlorophenyl)furan-2-yl]methyl-cyclopentylazanium?
The canonical SMILES for [5-(3-chlorophenyl)furan-2-yl]methyl-cyclopentylazanium is Clc1cccc(-c2ccc(C[NH2+]C3CCCC3)o2)c1.
What is the InChIKey of [5-(3-chlorophenyl)furan-2-yl]methyl-cyclopentylazanium?
The InChIKey is GMIQRHSYDGDYIU-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18ClNO/c17-13-5-3-4-12(10-13)16-9-8-15(19-16)11-18-14-6-1-2-7-14/h3-5,8-10,14,18H,1-2,6-7,11H2/p+1.
What are the key properties of [5-(3-chlorophenyl)furan-2-yl]methyl-cyclopentylazanium?
[5-(3-chlorophenyl)furan-2-yl]methyl-cyclopentylazanium has a molecular weight of 276.79 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)furan-2-yl]methyl-cyclopentylazanium is sourced from PubChem (CID 8622800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).