N-[(5-phenylfuran-2-yl)methyl]propan-1-amine

C14H17NO — CID 4725254

IUPACN-[(5-phenylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C14H17NO/c1-2-10-15-11-13-8-9-14(16-13)12-6-4-3-5-7-12/h3-9,15H,2,10-11H2,1H3
InChIKeyHBABPBFPTHUPAE-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.45
Rot. Bonds5

About N-[(5-phenylfuran-2-yl)methyl]propan-1-amine

N-[(5-phenylfuran-2-yl)methyl]propan-1-amine (PubChem CID 4725254) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[(5-phenylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-phenylfuran-2-yl)methyl]propan-1-amine
PubChem CID4725254
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-[(5-phenylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C14H17NO/c1-2-10-15-11-13-8-9-14(16-13)12-6-4-3-5-7-12/h3-9,15H,2,10-11H2,1H3
InChIKeyHBABPBFPTHUPAE-UHFFFAOYSA-N
XLogP3.45
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.45
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-(3-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 43624804
(2R)-1-[2-[(5-phenylfuran-2-yl)methylamino]ethylamino]propan-2-ol
CID 8622014
N',N'-dimethyl-N-[(5-phenylfuran-2-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 171700325
N-[[5-(4-nitrophenyl)furan-2-yl]methyl]propan-1-amine
CID 4973493
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
2,2-dimethyl-4-[(5-phenylfuran-2-yl)methylamino]butanoic acid
CID 122126799
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine
CID 4723752
2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride
CID 17331908
N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine
CID 43624682
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine
CID 119123049
N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine
CID 4723764

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenylfuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-phenylfuran-2-yl)methyl]propan-1-amine (CID 4725254) is N-[(5-phenylfuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-phenylfuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-phenylfuran-2-yl)methyl]propan-1-amine is CCCNCc1ccc(-c2ccccc2)o1.
What is the InChIKey of N-[(5-phenylfuran-2-yl)methyl]propan-1-amine?
The InChIKey is HBABPBFPTHUPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-10-15-11-13-8-9-14(16-13)12-6-4-3-5-7-12/h3-9,15H,2,10-11H2,1H3.
What are the key properties of N-[(5-phenylfuran-2-yl)methyl]propan-1-amine?
N-[(5-phenylfuran-2-yl)methyl]propan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 4725254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).