1-[5-(2-chlorophenyl)furan-2-yl]-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine

C19H23ClN2O2 — CID 164886650

IUPAC1-[5-(2-chlorophenyl)furan-2-yl]-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine
SMILESClc1ccccc1-c1ccc(CNCC2(N3CCCC3)COC2)o1
InChIInChI=1S/C19H23ClN2O2/c20-17-6-2-1-5-16(17)18-8-7-15(24-18)11-21-12-19(13-23-14-19)22-9-3-4-10-22/h1-2,5-8,21H,3-4,9-14H2
InChIKeyQHNARTNMADDQGU-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.55
Rot. Bonds6

About 1-[5-(2-chlorophenyl)furan-2-yl]-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine

1-[5-(2-chlorophenyl)furan-2-yl]-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine (PubChem CID 164886650) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-[5-(2-chlorophenyl)furan-2-yl]-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[5-(2-chlorophenyl)furan-2-yl]-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine
PubChem CID164886650
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-[5-(2-chlorophenyl)furan-2-yl]-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine
SMILESClc1ccccc1-c1ccc(CNCC2(N3CCCC3)COC2)o1
InChIInChI=1S/C19H23ClN2O2/c20-17-6-2-1-5-16(17)18-8-7-15(24-18)11-21-12-19(13-23-14-19)22-9-3-4-10-22/h1-2,5-8,21H,3-4,9-14H2
InChIKeyQHNARTNMADDQGU-UHFFFAOYSA-N
XLogP3.55
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(2-chlorophenyl)furan-2-yl]-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine with MolForge

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Related Compounds

2-chloro-N-(2-(dimethylamino)-2-(furan-2-yl)ethyl)-6-fluorobenzamide
CID 4879644
1-(5-phenylfuran-2-yl)-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine
CID 168285466
[5-(3-Chloro-4-fluorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium
CID 7425273
[5-(3,5-Dichlorophenyl)furan-2-yl]methyl-(2-methoxyethyl)azanium
CID 7379361
[5-(2,5-Dichlorophenyl)furan-2-yl]methyl-methylazanium
CID 7380086
[5-(3,5-Dichlorophenyl)furan-2-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium
CID 7380122
[5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium
CID 7380204
[5-(2,5-Dichlorophenyl)furan-2-yl]methyl-(2-hydroxyethyl)azanium
CID 7425146
[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium
CID 7425151
[5-(2,5-Dichlorophenyl)furan-2-yl]methyl-ethylazanium
CID 7425155
[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium
CID 8636600
[5-(2,5-Dichlorophenyl)furan-2-yl]methyl-propan-2-ylazanium
CID 41494863

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chlorophenyl)furan-2-yl]-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine?
The IUPAC name of 1-[5-(2-chlorophenyl)furan-2-yl]-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine (CID 164886650) is 1-[5-(2-chlorophenyl)furan-2-yl]-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine.
What is the SMILES notation for 1-[5-(2-chlorophenyl)furan-2-yl]-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine?
The canonical SMILES for 1-[5-(2-chlorophenyl)furan-2-yl]-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine is Clc1ccccc1-c1ccc(CNCC2(N3CCCC3)COC2)o1.
What is the InChIKey of 1-[5-(2-chlorophenyl)furan-2-yl]-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine?
The InChIKey is QHNARTNMADDQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c20-17-6-2-1-5-16(17)18-8-7-15(24-18)11-21-12-19(13-23-14-19)22-9-3-4-10-22/h1-2,5-8,21H,3-4,9-14H2.
What are the key properties of 1-[5-(2-chlorophenyl)furan-2-yl]-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine?
1-[5-(2-chlorophenyl)furan-2-yl]-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine has a molecular weight of 346.86 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chlorophenyl)furan-2-yl]-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine is sourced from PubChem (CID 164886650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).