N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine

C19H26FNO — CID 2867747

IUPACN-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
SMILESCc1ccc(C(C)(C)CC(C)NCCc2cccc(F)c2)o1
InChIInChI=1S/C19H26FNO/c1-14(13-19(3,4)18-9-8-15(2)22-18)21-11-10-16-6-5-7-17(20)12-16/h5-9,12,14,21H,10-11,13H2,1-4H3
InChIKeyUHIHTYFLLFIMGT-UHFFFAOYSA-N
MW303.42 g/mol
LogP4.62
Rot. Bonds7

About N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine

N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine (PubChem CID 2867747) has the molecular formula C19H26FNO and a molecular weight of 303.42 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
PubChem CID2867747
Molecular FormulaC19H26FNO
Molecular Weight303.42 g/mol
Exact Mass303.20
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
SMILESCc1ccc(C(C)(C)CC(C)NCCc2cccc(F)c2)o1
InChIInChI=1S/C19H26FNO/c1-14(13-19(3,4)18-9-8-15(2)22-18)21-11-10-16-6-5-7-17(20)12-16/h5-9,12,14,21H,10-11,13H2,1-4H3
InChIKeyUHIHTYFLLFIMGT-UHFFFAOYSA-N
XLogP4.62
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine (CID 2867747) is N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine is Cc1ccc(C(C)(C)CC(C)NCCc2cccc(F)c2)o1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine?
The InChIKey is UHIHTYFLLFIMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO/c1-14(13-19(3,4)18-9-8-15(2)22-18)21-11-10-16-6-5-7-17(20)12-16/h5-9,12,14,21H,10-11,13H2,1-4H3.
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine?
N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine has a molecular weight of 303.42 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine is sourced from PubChem (CID 2867747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).