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

C15H19NO — CID 43624804

IUPACN-[[5-(3-methylphenyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cccc(C)c2)o1
InChIInChI=1S/C15H19NO/c1-3-9-16-11-14-7-8-15(17-14)13-6-4-5-12(2)10-13/h4-8,10,16H,3,9,11H2,1-2H3
InChIKeyZHTZHDVDDDWMBK-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.75
Rot. Bonds5

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

N-[[5-(3-methylphenyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 43624804) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[[5-(3-methylphenyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-methylphenyl)furan-2-yl]methyl]propan-1-amine
PubChem CID43624804
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-[[5-(3-methylphenyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cccc(C)c2)o1
InChIInChI=1S/C15H19NO/c1-3-9-16-11-14-7-8-15(17-14)13-6-4-5-12(2)10-13/h4-8,10,16H,3,9,11H2,1-2H3
InChIKeyZHTZHDVDDDWMBK-UHFFFAOYSA-N
XLogP3.75
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
CID 4725254
N-[[5-(3,4,5-trifluorophenyl)furan-2-yl]methyl]propan-1-amine
CID 55119419
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
CID 17332122
N-[[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 43624854
[5-(3-methylphenyl)furan-2-yl]methanamine
CID 28804201
N-[[5-(3-propylphenyl)furan-2-yl]methyl]ethanamine
CID 106888028
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 4725309
N-[[5-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106889016
N-[[5-(4-nitrophenyl)furan-2-yl]methyl]propan-1-amine
CID 4973493
N-[[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine
CID 64855525
2-[5-(3-methylphenyl)furan-2-yl]acetic acid
CID 35754290
N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62756408

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methylphenyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(3-methylphenyl)furan-2-yl]methyl]propan-1-amine (CID 43624804) is N-[[5-(3-methylphenyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(3-methylphenyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(3-methylphenyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1ccc(-c2cccc(C)c2)o1.
What is the InChIKey of N-[[5-(3-methylphenyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is ZHTZHDVDDDWMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-9-16-11-14-7-8-15(17-14)13-6-4-5-12(2)10-13/h4-8,10,16H,3,9,11H2,1-2H3.
What are the key properties of N-[[5-(3-methylphenyl)furan-2-yl]methyl]propan-1-amine?
N-[[5-(3-methylphenyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 229.32 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methylphenyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 43624804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).