[1-[4-[(5-phenylfuran-2-yl)methylamino]butyl]pyrrolidin-2-yl]methanol

C20H28N2O2 — CID 119128697

IUPAC[1-[4-[(5-phenylfuran-2-yl)methylamino]butyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CCCCNCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C20H28N2O2/c23-16-18-9-6-14-22(18)13-5-4-12-21-15-19-10-11-20(24-19)17-7-2-1-3-8-17/h1-3,7-8,10-11,18,21,23H,4-6,9,12-16H2
InChIKeyHBLHUHRDHCNJPG-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.27
Rot. Bonds9

About [1-[4-[(5-phenylfuran-2-yl)methylamino]butyl]pyrrolidin-2-yl]methanol

[1-[4-[(5-phenylfuran-2-yl)methylamino]butyl]pyrrolidin-2-yl]methanol (PubChem CID 119128697) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is [1-[4-[(5-phenylfuran-2-yl)methylamino]butyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-[(5-phenylfuran-2-yl)methylamino]butyl]pyrrolidin-2-yl]methanol
PubChem CID119128697
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name[1-[4-[(5-phenylfuran-2-yl)methylamino]butyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CCCCNCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C20H28N2O2/c23-16-18-9-6-14-22(18)13-5-4-12-21-15-19-10-11-20(24-19)17-7-2-1-3-8-17/h1-3,7-8,10-11,18,21,23H,4-6,9,12-16H2
InChIKeyHBLHUHRDHCNJPG-UHFFFAOYSA-N
XLogP3.27
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[4-[(5-bromothiophen-2-yl)methylamino]butyl]pyrrolidin-2-yl]methanol
CID 111114765
1-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-phenylurea
CID 97016233
3-morpholin-4-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine;dihydrochloride
CID 6456966
[1-[4-[(2-methyl-3-pyridinyl)methylamino]butyl]pyrrolidin-2-yl]methanol
CID 111114758
[1-[4-(1H-indol-4-ylmethylamino)butyl]pyrrolidin-2-yl]methanol
CID 119128688
[1-[4-[(2,5-difluorophenyl)methylamino]butyl]pyrrolidin-2-yl]methanol
CID 111114718
[1-[4-[(2-chloro-6-fluorophenyl)methylamino]butyl]pyrrolidin-2-yl]methanol
CID 111114761
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 17215860
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;dihydrochloride
CID 17215859
[(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol
CID 14517943
4-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one
CID 14615613
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331

Frequently Asked Questions

What is the IUPAC name of [1-[4-[(5-phenylfuran-2-yl)methylamino]butyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-[(5-phenylfuran-2-yl)methylamino]butyl]pyrrolidin-2-yl]methanol (CID 119128697) is [1-[4-[(5-phenylfuran-2-yl)methylamino]butyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-[(5-phenylfuran-2-yl)methylamino]butyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-[(5-phenylfuran-2-yl)methylamino]butyl]pyrrolidin-2-yl]methanol is OCC1CCCN1CCCCNCc1ccc(-c2ccccc2)o1.
What is the InChIKey of [1-[4-[(5-phenylfuran-2-yl)methylamino]butyl]pyrrolidin-2-yl]methanol?
The InChIKey is HBLHUHRDHCNJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-16-18-9-6-14-22(18)13-5-4-12-21-15-19-10-11-20(24-19)17-7-2-1-3-8-17/h1-3,7-8,10-11,18,21,23H,4-6,9,12-16H2.
What are the key properties of [1-[4-[(5-phenylfuran-2-yl)methylamino]butyl]pyrrolidin-2-yl]methanol?
[1-[4-[(5-phenylfuran-2-yl)methylamino]butyl]pyrrolidin-2-yl]methanol has a molecular weight of 328.46 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(5-phenylfuran-2-yl)methylamino]butyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 119128697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).