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

C16H16FNO — CID 106225214

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-1-yn-3-amine
SMILESC#CC(CC)NCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H16FNO/c1-3-14(4-2)18-11-15-9-10-16(19-15)12-5-7-13(17)8-6-12/h1,5-10,14,18H,4,11H2,2H3
InChIKeyUWOGKHPWYPQFQN-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.59
Rot. Bonds5

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

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-1-yn-3-amine (PubChem CID 106225214) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-1-yn-3-amine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-1-yn-3-amine
PubChem CID106225214
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-1-yn-3-amine
SMILESC#CC(CC)NCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H16FNO/c1-3-14(4-2)18-11-15-9-10-16(19-15)12-5-7-13(17)8-6-12/h1,5-10,14,18H,4,11H2,2H3
InChIKeyUWOGKHPWYPQFQN-UHFFFAOYSA-N
XLogP3.59
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-3-methylbutan-1-ol
CID 79253494
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-5-methylhexan-2-amine
CID 43080703
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylpentan-3-amine
CID 106328262
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-4-yn-1-amine
CID 103701717
methyl (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]propanoate
CID 43723505
4-fluoro-2-[(pent-1-yn-3-ylamino)methyl]phenol
CID 106225386
3-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-2-methylpropanenitrile
CID 62648146
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]heptan-1-amine
CID 4723512
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1-methyltriazol-4-yl)ethanamine
CID 167910575
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-2-amine
CID 4723768
[(2S)-butan-2-yl]-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium
CID 8622197
N-[(2-fluoro-3-methoxyphenyl)methyl]pent-1-yn-3-amine
CID 106229407

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-1-yn-3-amine?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-1-yn-3-amine (CID 106225214) is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-1-yn-3-amine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-1-yn-3-amine?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-1-yn-3-amine is C#CC(CC)NCc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-1-yn-3-amine?
The InChIKey is UWOGKHPWYPQFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-3-14(4-2)18-11-15-9-10-16(19-15)12-5-7-13(17)8-6-12/h1,5-10,14,18H,4,11H2,2H3.
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-1-yn-3-amine?
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-1-yn-3-amine has a molecular weight of 257.31 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-1-yn-3-amine is sourced from PubChem (CID 106225214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).