1-cyclobutyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine

C16H18FNO — CID 119122066

IUPAC1-cyclobutyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine
SMILESFc1ccc(C(NCc2ccco2)C2CCC2)cc1
InChIInChI=1S/C16H18FNO/c17-14-8-6-13(7-9-14)16(12-3-1-4-12)18-11-15-5-2-10-19-15/h2,5-10,12,16,18H,1,3-4,11H2
InChIKeyUVGAUILHOVSVOF-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.05
Rot. Bonds5

About 1-cyclobutyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine

1-cyclobutyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine (PubChem CID 119122066) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-cyclobutyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclobutyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine
PubChem CID119122066
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-cyclobutyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine
SMILESFc1ccc(C(NCc2ccco2)C2CCC2)cc1
InChIInChI=1S/C16H18FNO/c17-14-8-6-13(7-9-14)16(12-3-1-4-12)18-11-15-5-2-10-19-15/h2,5-10,12,16,18H,1,3-4,11H2
InChIKeyUVGAUILHOVSVOF-UHFFFAOYSA-N
XLogP4.05
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N-(furan-2-ylmethyl)-1-thiophen-2-ylmethanamine
CID 43740567
(1S)-1-cyclobutyl-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 95598748
1-cyclohexyl-N-(furan-2-ylmethyl)ethanamine
CID 43754928
N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]furan-2-carboxamide
CID 51951454
1-cyclobutyl-1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)methanamine
CID 119932506
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-piperidin-4-ylmethanamine
CID 19771937
1-cyclopropyl-N-(cyclopropylmethyl)-1-(4-fluorophenyl)methanamine
CID 43756811
methyl 3-cyclobutyl-3-(furan-2-ylmethylamino)propanoate
CID 134162015
4-[[cyclobutyl-(4-fluorophenyl)methyl]amino]butanoic acid
CID 119958670
1-cyclopropyl-1-(4-fluorophenyl)-N-(pyridazin-3-ylmethyl)methanamine
CID 106895187
1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 43768785
N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62906192

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine?
The IUPAC name of 1-cyclobutyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine (CID 119122066) is 1-cyclobutyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclobutyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine?
The canonical SMILES for 1-cyclobutyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine is Fc1ccc(C(NCc2ccco2)C2CCC2)cc1.
What is the InChIKey of 1-cyclobutyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine?
The InChIKey is UVGAUILHOVSVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c17-14-8-6-13(7-9-14)16(12-3-1-4-12)18-11-15-5-2-10-19-15/h2,5-10,12,16,18H,1,3-4,11H2.
What are the key properties of 1-cyclobutyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine?
1-cyclobutyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine has a molecular weight of 259.32 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine is sourced from PubChem (CID 119122066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).