3-(furan-2-ylmethylamino)propan-1-ol

C8H13NO2 — CID 3153468

IUPAC3-(furan-2-ylmethylamino)propan-1-ol
SMILESOCCCNCc1ccco1
InChIInChI=1S/C8H13NO2/c10-5-2-4-9-7-8-3-1-6-11-8/h1,3,6,9-10H,2,4-5,7H2
InChIKeyUCMRAPBPWXKDNL-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.75
Rot. Bonds5

About 3-(furan-2-ylmethylamino)propan-1-ol

3-(furan-2-ylmethylamino)propan-1-ol (PubChem CID 3153468) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-(furan-2-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(furan-2-ylmethylamino)propan-1-ol
PubChem CID3153468
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3-(furan-2-ylmethylamino)propan-1-ol
SMILESOCCCNCc1ccco1
InChIInChI=1S/C8H13NO2/c10-5-2-4-9-7-8-3-1-6-11-8/h1,3,6,9-10H,2,4-5,7H2
InChIKeyUCMRAPBPWXKDNL-UHFFFAOYSA-N
XLogP0.75
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylamino)propan-1-ol?
The IUPAC name of 3-(furan-2-ylmethylamino)propan-1-ol (CID 3153468) is 3-(furan-2-ylmethylamino)propan-1-ol.
What is the SMILES notation for 3-(furan-2-ylmethylamino)propan-1-ol?
The canonical SMILES for 3-(furan-2-ylmethylamino)propan-1-ol is OCCCNCc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethylamino)propan-1-ol?
The InChIKey is UCMRAPBPWXKDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c10-5-2-4-9-7-8-3-1-6-11-8/h1,3,6,9-10H,2,4-5,7H2.
What are the key properties of 3-(furan-2-ylmethylamino)propan-1-ol?
3-(furan-2-ylmethylamino)propan-1-ol has a molecular weight of 155.20 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylamino)propan-1-ol is sourced from PubChem (CID 3153468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).