N-[[5-(4-fluorophenyl)furan-2-yl]methyl]heptan-1-amine

C18H24FNO — CID 4723512

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methyl]heptan-1-amine
SMILESCCCCCCCNCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H24FNO/c1-2-3-4-5-6-13-20-14-17-11-12-18(21-17)15-7-9-16(19)10-8-15/h7-12,20H,2-6,13-14H2,1H3
InChIKeyQYUHUANXTRAVRI-UHFFFAOYSA-N
MW289.39 g/mol
LogP5.15
Rot. Bonds9

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

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]heptan-1-amine (PubChem CID 4723512) has the molecular formula C18H24FNO and a molecular weight of 289.39 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]heptan-1-amine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]heptan-1-amine
PubChem CID4723512
Molecular FormulaC18H24FNO
Molecular Weight289.39 g/mol
Exact Mass289.18
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]heptan-1-amine
SMILESCCCCCCCNCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H24FNO/c1-2-3-4-5-6-13-20-14-17-11-12-18(21-17)15-7-9-16(19)10-8-15/h7-12,20H,2-6,13-14H2,1H3
InChIKeyQYUHUANXTRAVRI-UHFFFAOYSA-N
XLogP5.15
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.39
LogP ≤ 55.15
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-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine
CID 4723764
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]hexan-1-amine
CID 4724568
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]pent-4-yn-1-amine
CID 103701717
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine
CID 4723752
methyl 4-[5-[(hexylamino)methyl]furan-2-yl]benzoate
CID 4724301
N-[[5-(4-bromo-3-methylphenyl)furan-2-yl]methyl]hexan-1-amine
CID 17056314
N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]heptan-1-amine;hydrochloride
CID 17057126
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylethanamine
CID 60663627
(E)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-3-en-1-amine
CID 115629192
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine
CID 4724475
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine
CID 17207835

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]heptan-1-amine?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]heptan-1-amine (CID 4723512) is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]heptan-1-amine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]heptan-1-amine?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]heptan-1-amine is CCCCCCCNCc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]heptan-1-amine?
The InChIKey is QYUHUANXTRAVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO/c1-2-3-4-5-6-13-20-14-17-11-12-18(21-17)15-7-9-16(19)10-8-15/h7-12,20H,2-6,13-14H2,1H3.
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]heptan-1-amine?
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]heptan-1-amine has a molecular weight of 289.39 g/mol, XLogP of 5.15, 9 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]heptan-1-amine is sourced from PubChem (CID 4723512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).