Furan-2-yl-(1-phenyl-but-3-enyl)-amine

C14H16ClNO — CID 6603343

IUPACN-(1-phenylbut-3-enyl)furan-2-amine;hydrochloride
SMILESC=CCC(C1=CC=CC=C1)NC2=CC=CO2.Cl
InChIInChI=1S/C14H15NO.ClH/c1-2-7-13(12-8-4-3-5-9-12)15-14-10-6-11-16-14;/h2-6,8-11,13,15H,1,7H2;1H
InChIKeyQCKQAMUZESDDAX-UHFFFAOYSA-N
MW249.73 g/mol
LogP—
Rot. Bonds5

About Furan-2-yl-(1-phenyl-but-3-enyl)-amine

Furan-2-yl-(1-phenyl-but-3-enyl)-amine (PubChem CID 6603343) has the molecular formula C14H16ClNO and a molecular weight of 249.73 g/mol. Its IUPAC name is N-(1-phenylbut-3-enyl)furan-2-amine;hydrochloride.

Molecular Properties

Compound NameFuran-2-yl-(1-phenyl-but-3-enyl)-amine
PubChem CID6603343
Molecular FormulaC14H16ClNO
Molecular Weight249.73 g/mol
Exact Mass249.09
IUPAC NameN-(1-phenylbut-3-enyl)furan-2-amine;hydrochloride
SMILESC=CCC(C1=CC=CC=C1)NC2=CC=CO2.Cl
InChIInChI=1S/C14H15NO.ClH/c1-2-7-13(12-8-4-3-5-9-12)15-14-10-6-11-16-14;/h2-6,8-11,13,15H,1,7H2;1H
InChIKeyQCKQAMUZESDDAX-UHFFFAOYSA-N
XLogP—
TPSA25.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity211

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-N-[2-(furan-2-yl)ethyl]benzamide
CID 9506757
4-Amino-N-furan-2-yl-benzamide
CID 774475
(2Z)-N-benzyl-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide
CID 921800
(2Z)-N-benzyl-2-cyano-3-[5-(diethylamino)furan-2-yl]prop-2-enamide
CID 929467
(E)-2-cyano-3-(5-morpholin-4-ylfuran-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 1971752
N-(furan-2-yl)-N-(1-phenylbut-3-enyl)acetamide
CID 3147167
5-nitro-N-[(1S,2R)-2-phenylcyclopropyl]furan-2-amine
CID 145987433
3-Amino-N-furan-2-yl-benzamide
CID 648090
Cambridge id 5457293
CID 784125
N-[5-(3-fluorophenyl)furan-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 137642557
N',N'-dimethyl-N-(5-phenylfuran-2-yl)propane-1,3-diamine
CID 137650791
N-[5-(4-fluorophenyl)furan-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 137659785

Frequently Asked Questions

What is the IUPAC name of Furan-2-yl-(1-phenyl-but-3-enyl)-amine?
The IUPAC name of Furan-2-yl-(1-phenyl-but-3-enyl)-amine (CID 6603343) is N-(1-phenylbut-3-enyl)furan-2-amine;hydrochloride.
What is the SMILES notation for Furan-2-yl-(1-phenyl-but-3-enyl)-amine?
The canonical SMILES for Furan-2-yl-(1-phenyl-but-3-enyl)-amine is C=CCC(C1=CC=CC=C1)NC2=CC=CO2.Cl.
What is the InChIKey of Furan-2-yl-(1-phenyl-but-3-enyl)-amine?
The InChIKey is QCKQAMUZESDDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO.ClH/c1-2-7-13(12-8-4-3-5-9-12)15-14-10-6-11-16-14;/h2-6,8-11,13,15H,1,7H2;1H.
What are the key properties of Furan-2-yl-(1-phenyl-but-3-enyl)-amine?
Furan-2-yl-(1-phenyl-but-3-enyl)-amine has a molecular weight of 249.73 g/mol, XLogP of not available, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Furan-2-yl-(1-phenyl-but-3-enyl)-amine is sourced from PubChem (CID 6603343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).