N-(1-phenylbut-3-enyl)furan-2-amine chloride

C14H15ClNO- — CID 53312740

IUPACN-(1-phenylbut-3-enyl)furan-2-amine chloride
SMILESC=CCC(Nc1ccco1)c1ccccc1.[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/p-1
InChIKeyQCKQAMUZESDDAX-UHFFFAOYSA-M
MW248.73 g/mol
LogP1.01
Rot. Bonds5

About N-(1-phenylbut-3-enyl)furan-2-amine chloride

N-(1-phenylbut-3-enyl)furan-2-amine chloride (PubChem CID 53312740) has the molecular formula C14H15ClNO- and a molecular weight of 248.73 g/mol. Its IUPAC name is N-(1-phenylbut-3-enyl)furan-2-amine chloride.

Molecular Properties

Compound NameN-(1-phenylbut-3-enyl)furan-2-amine chloride
PubChem CID53312740
Molecular FormulaC14H15ClNO-
Molecular Weight248.73 g/mol
Exact Mass248.08
IUPAC NameN-(1-phenylbut-3-enyl)furan-2-amine chloride
SMILESC=CCC(Nc1ccco1)c1ccccc1.[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/p-1
InChIKeyQCKQAMUZESDDAX-UHFFFAOYSA-M
XLogP1.01
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbut-3-enyl)furan-2-amine chloride?
The IUPAC name of N-(1-phenylbut-3-enyl)furan-2-amine chloride (CID 53312740) is N-(1-phenylbut-3-enyl)furan-2-amine chloride.
What is the SMILES notation for N-(1-phenylbut-3-enyl)furan-2-amine chloride?
The canonical SMILES for N-(1-phenylbut-3-enyl)furan-2-amine chloride is C=CCC(Nc1ccco1)c1ccccc1.[Cl-].
What is the InChIKey of N-(1-phenylbut-3-enyl)furan-2-amine chloride?
The InChIKey is QCKQAMUZESDDAX-UHFFFAOYSA-M. 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/p-1.
What are the key properties of N-(1-phenylbut-3-enyl)furan-2-amine chloride?
N-(1-phenylbut-3-enyl)furan-2-amine chloride has a molecular weight of 248.73 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylbut-3-enyl)furan-2-amine chloride is sourced from PubChem (CID 53312740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).