(E)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-3-en-1-amine

C16H18FNO — CID 115629192

IUPAC(E)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-3-en-1-amine
SMILESC/C=C/CCNCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H18FNO/c1-2-3-4-11-18-12-15-9-10-16(19-15)13-5-7-14(17)8-6-13/h2-3,5-10,18H,4,11-12H2,1H3/b3-2+
InChIKeyDVBRZCMHXYZCNT-NSCUHMNNSA-N
MW259.32 g/mol
LogP4.14
Rot. Bonds6

About (E)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-3-en-1-amine

(E)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-3-en-1-amine (PubChem CID 115629192) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is (E)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-3-en-1-amine
PubChem CID115629192
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name(E)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-3-en-1-amine
SMILESC/C=C/CCNCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H18FNO/c1-2-3-4-11-18-12-15-9-10-16(19-15)13-5-7-14(17)8-6-13/h2-3,5-10,18H,4,11-12H2,1H3/b3-2+
InChIKeyDVBRZCMHXYZCNT-NSCUHMNNSA-N
XLogP4.14
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylethanamine
CID 60663627
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]heptan-1-amine
CID 4723512
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17331982
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylbut-2-en-1-amine
CID 106180699
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-4-yn-1-amine
CID 103701717
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 4723536
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 4723780
3-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-2-methylpropanenitrile
CID 62648146
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylpentan-3-amine
CID 106328262
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63830417
1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63001539
1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 61034800

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-3-en-1-amine?
The IUPAC name of (E)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-3-en-1-amine (CID 115629192) is (E)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-3-en-1-amine.
What is the SMILES notation for (E)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-3-en-1-amine?
The canonical SMILES for (E)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-3-en-1-amine is C/C=C/CCNCc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of (E)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-3-en-1-amine?
The InChIKey is DVBRZCMHXYZCNT-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H18FNO/c1-2-3-4-11-18-12-15-9-10-16(19-15)13-5-7-14(17)8-6-13/h2-3,5-10,18H,4,11-12H2,1H3/b3-2+.
What are the key properties of (E)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-3-en-1-amine?
(E)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-3-en-1-amine has a molecular weight of 259.32 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-3-en-1-amine is sourced from PubChem (CID 115629192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).