N-[[5-(furan-3-yl)-2-methoxyphenyl]methyl]cyclopentanamine

C17H21NO2 — CID 56713567

IUPACN-[[5-(furan-3-yl)-2-methoxyphenyl]methyl]cyclopentanamine
SMILESCOc1ccc(-c2ccoc2)cc1CNC1CCCC1
InChIInChI=1S/C17H21NO2/c1-19-17-7-6-13(14-8-9-20-12-14)10-15(17)11-18-16-4-2-3-5-16/h6-10,12,16,18H,2-5,11H2,1H3
InChIKeyFSMAMVDVAVWOSH-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.99
Rot. Bonds5

About N-[[5-(furan-3-yl)-2-methoxyphenyl]methyl]cyclopentanamine

N-[[5-(furan-3-yl)-2-methoxyphenyl]methyl]cyclopentanamine (PubChem CID 56713567) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[[5-(furan-3-yl)-2-methoxyphenyl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[5-(furan-3-yl)-2-methoxyphenyl]methyl]cyclopentanamine
PubChem CID56713567
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[[5-(furan-3-yl)-2-methoxyphenyl]methyl]cyclopentanamine
SMILESCOc1ccc(-c2ccoc2)cc1CNC1CCCC1
InChIInChI=1S/C17H21NO2/c1-19-17-7-6-13(14-8-9-20-12-14)10-15(17)11-18-16-4-2-3-5-16/h6-10,12,16,18H,2-5,11H2,1H3
InChIKeyFSMAMVDVAVWOSH-UHFFFAOYSA-N
XLogP3.99
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-3-yl)-2-methoxyphenyl]methyl]cyclopentanamine?
The IUPAC name of N-[[5-(furan-3-yl)-2-methoxyphenyl]methyl]cyclopentanamine (CID 56713567) is N-[[5-(furan-3-yl)-2-methoxyphenyl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[5-(furan-3-yl)-2-methoxyphenyl]methyl]cyclopentanamine?
The canonical SMILES for N-[[5-(furan-3-yl)-2-methoxyphenyl]methyl]cyclopentanamine is COc1ccc(-c2ccoc2)cc1CNC1CCCC1.
What is the InChIKey of N-[[5-(furan-3-yl)-2-methoxyphenyl]methyl]cyclopentanamine?
The InChIKey is FSMAMVDVAVWOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-19-17-7-6-13(14-8-9-20-12-14)10-15(17)11-18-16-4-2-3-5-16/h6-10,12,16,18H,2-5,11H2,1H3.
What are the key properties of N-[[5-(furan-3-yl)-2-methoxyphenyl]methyl]cyclopentanamine?
N-[[5-(furan-3-yl)-2-methoxyphenyl]methyl]cyclopentanamine has a molecular weight of 271.36 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-3-yl)-2-methoxyphenyl]methyl]cyclopentanamine is sourced from PubChem (CID 56713567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).