3-[[5-(3-methylphenyl)furan-2-yl]methoxy]propan-1-amine

C15H19NO2 — CID 112518464

IUPAC3-[[5-(3-methylphenyl)furan-2-yl]methoxy]propan-1-amine
SMILESCc1cccc(-c2ccc(COCCCN)o2)c1
InChIInChI=1S/C15H19NO2/c1-12-4-2-5-13(10-12)15-7-6-14(18-15)11-17-9-3-8-16/h2,4-7,10H,3,8-9,11,16H2,1H3
InChIKeyRWWDEBHNBDHRRL-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.12
Rot. Bonds6

About 3-[[5-(3-methylphenyl)furan-2-yl]methoxy]propan-1-amine

3-[[5-(3-methylphenyl)furan-2-yl]methoxy]propan-1-amine (PubChem CID 112518464) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-[[5-(3-methylphenyl)furan-2-yl]methoxy]propan-1-amine.

Molecular Properties

Compound Name3-[[5-(3-methylphenyl)furan-2-yl]methoxy]propan-1-amine
PubChem CID112518464
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-[[5-(3-methylphenyl)furan-2-yl]methoxy]propan-1-amine
SMILESCc1cccc(-c2ccc(COCCCN)o2)c1
InChIInChI=1S/C15H19NO2/c1-12-4-2-5-13(10-12)15-7-6-14(18-15)11-17-9-3-8-16/h2,4-7,10H,3,8-9,11,16H2,1H3
InChIKeyRWWDEBHNBDHRRL-UHFFFAOYSA-N
XLogP3.12
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
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-[[5-(3-methylphenyl)furan-2-yl]methoxy]propan-1-amine?
The IUPAC name of 3-[[5-(3-methylphenyl)furan-2-yl]methoxy]propan-1-amine (CID 112518464) is 3-[[5-(3-methylphenyl)furan-2-yl]methoxy]propan-1-amine.
What is the SMILES notation for 3-[[5-(3-methylphenyl)furan-2-yl]methoxy]propan-1-amine?
The canonical SMILES for 3-[[5-(3-methylphenyl)furan-2-yl]methoxy]propan-1-amine is Cc1cccc(-c2ccc(COCCCN)o2)c1.
What is the InChIKey of 3-[[5-(3-methylphenyl)furan-2-yl]methoxy]propan-1-amine?
The InChIKey is RWWDEBHNBDHRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-12-4-2-5-13(10-12)15-7-6-14(18-15)11-17-9-3-8-16/h2,4-7,10H,3,8-9,11,16H2,1H3.
What are the key properties of 3-[[5-(3-methylphenyl)furan-2-yl]methoxy]propan-1-amine?
3-[[5-(3-methylphenyl)furan-2-yl]methoxy]propan-1-amine has a molecular weight of 245.32 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-methylphenyl)furan-2-yl]methoxy]propan-1-amine is sourced from PubChem (CID 112518464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).