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

C18H24FNO — CID 43080703

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H24FNO/c1-13(2)4-5-14(3)20-12-17-10-11-18(21-17)15-6-8-16(19)9-7-15/h6-11,13-14,20H,4-5,12H2,1-3H3
InChIKeyWUIZDHBLGDOPJR-UHFFFAOYSA-N
MW289.39 g/mol
LogP5.00
Rot. Bonds7

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

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-5-methylhexan-2-amine (PubChem CID 43080703) 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]-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-5-methylhexan-2-amine
PubChem CID43080703
Molecular FormulaC18H24FNO
Molecular Weight289.39 g/mol
Exact Mass289.18
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H24FNO/c1-13(2)4-5-14(3)20-12-17-10-11-18(21-17)15-6-8-16(19)9-7-15/h6-11,13-14,20H,4-5,12H2,1-3H3
InChIKeyWUIZDHBLGDOPJR-UHFFFAOYSA-N
XLogP5.00
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-3-methylbutan-1-ol
CID 79253494
methyl (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]propanoate
CID 43723505
3-[(5-phenylfuran-2-yl)methylamino]butan-1-ol
CID 111436938
N-[(5-bromofuran-2-yl)methyl]-5-methylhexan-2-amine
CID 43181214
N-[(5-chlorofuran-2-yl)methyl]-5-methylhexan-2-amine
CID 60663070
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-1-yn-3-amine
CID 106225214
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-2-amine
CID 4723768
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1-methyltriazol-4-yl)ethanamine
CID 167910575
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-(2-methylpropyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106888608
(1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol
CID 8639149

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-5-methylhexan-2-amine?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-5-methylhexan-2-amine (CID 43080703) is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-5-methylhexan-2-amine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-5-methylhexan-2-amine?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-5-methylhexan-2-amine is CC(C)CCC(C)NCc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-5-methylhexan-2-amine?
The InChIKey is WUIZDHBLGDOPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO/c1-13(2)4-5-14(3)20-12-17-10-11-18(21-17)15-6-8-16(19)9-7-15/h6-11,13-14,20H,4-5,12H2,1-3H3.
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-5-methylhexan-2-amine?
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-5-methylhexan-2-amine has a molecular weight of 289.39 g/mol, XLogP of 5.00, 7 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]-5-methylhexan-2-amine is sourced from PubChem (CID 43080703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).