N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylpentan-3-amine

C17H22FNO — CID 106328262

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylpentan-3-amine
SMILESCCC(C)(CC)NCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H22FNO/c1-4-17(3,5-2)19-12-15-10-11-16(20-15)13-6-8-14(18)9-7-13/h6-11,19H,4-5,12H2,1-3H3
InChIKeyYABYAEVIZPSTQH-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.75
Rot. Bonds6

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

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylpentan-3-amine (PubChem CID 106328262) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylpentan-3-amine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylpentan-3-amine
PubChem CID106328262
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylpentan-3-amine
SMILESCCC(C)(CC)NCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H22FNO/c1-4-17(3,5-2)19-12-15-10-11-16(20-15)13-6-8-14(18)9-7-13/h6-11,19H,4-5,12H2,1-3H3
InChIKeyYABYAEVIZPSTQH-UHFFFAOYSA-N
XLogP4.75
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]heptan-1-amine
CID 4723512
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylethanamine
CID 60663627
1-[4-[5-[(2-methylbutan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol
CID 17210963
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-1-yn-3-amine
CID 106225214
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine
CID 43534821
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylbut-2-en-1-amine
CID 106180699
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-5-methylhexan-2-amine
CID 43080703
(2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-3-methylbutan-1-ol
CID 79253494
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,3-dimethylpyrazol-4-amine
CID 104954383
(E)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-3-en-1-amine
CID 115629192
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 4723536
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17331982

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylpentan-3-amine?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylpentan-3-amine (CID 106328262) is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylpentan-3-amine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylpentan-3-amine?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylpentan-3-amine is CCC(C)(CC)NCc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylpentan-3-amine?
The InChIKey is YABYAEVIZPSTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-4-17(3,5-2)19-12-15-10-11-16(20-15)13-6-8-14(18)9-7-13/h6-11,19H,4-5,12H2,1-3H3.
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylpentan-3-amine?
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylpentan-3-amine has a molecular weight of 275.37 g/mol, XLogP of 4.75, 6 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]-3-methylpentan-3-amine is sourced from PubChem (CID 106328262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).