1-(3-fluorophenyl)-1-N-(furan-3-ylmethyl)-1-N-methylpropane-1,2-diamine

C15H19FN2O — CID 55020150

IUPAC1-(3-fluorophenyl)-1-N-(furan-3-ylmethyl)-1-N-methylpropane-1,2-diamine
SMILESCC(N)C(c1cccc(F)c1)N(C)Cc1ccoc1
InChIInChI=1S/C15H19FN2O/c1-11(17)15(13-4-3-5-14(16)8-13)18(2)9-12-6-7-19-10-12/h3-8,10-11,15H,9,17H2,1-2H3
InChIKeyGVVDNCPIHWQICF-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.94
Rot. Bonds5

About 1-(3-fluorophenyl)-1-N-(furan-3-ylmethyl)-1-N-methylpropane-1,2-diamine

1-(3-fluorophenyl)-1-N-(furan-3-ylmethyl)-1-N-methylpropane-1,2-diamine (PubChem CID 55020150) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-N-(furan-3-ylmethyl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-N-(furan-3-ylmethyl)-1-N-methylpropane-1,2-diamine
PubChem CID55020150
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name1-(3-fluorophenyl)-1-N-(furan-3-ylmethyl)-1-N-methylpropane-1,2-diamine
SMILESCC(N)C(c1cccc(F)c1)N(C)Cc1ccoc1
InChIInChI=1S/C15H19FN2O/c1-11(17)15(13-4-3-5-14(16)8-13)18(2)9-12-6-7-19-10-12/h3-8,10-11,15H,9,17H2,1-2H3
InChIKeyGVVDNCPIHWQICF-UHFFFAOYSA-N
XLogP2.94
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 61422331
2-[(1R)-1-aminoethyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline
CID 63369381
1-(3-fluorophenyl)-2-(furan-3-yl)ethanol
CID 83171476
2-[[2-amino-1-(3-fluorophenyl)propyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62922758
3-(3-fluorophenyl)-2-N-(furan-3-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831179
3-N-(furan-3-ylmethyl)-3-N-methylbutane-1,3-diamine
CID 61421973
N-(furan-3-ylmethyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 61422376
N-ethyl-2-(3-fluorophenyl)-3-(furan-3-yl)propan-1-amine
CID 83182511
2-[[2-amino-1-(3-fluorophenyl)propyl]-propylamino]ethanol
CID 55020152
1-(3-fluoro-4-methylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 55245764
1-(2-fluorophenyl)-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 115996861
1-(3-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 82948540

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-N-(furan-3-ylmethyl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-(3-fluorophenyl)-1-N-(furan-3-ylmethyl)-1-N-methylpropane-1,2-diamine (CID 55020150) is 1-(3-fluorophenyl)-1-N-(furan-3-ylmethyl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-(3-fluorophenyl)-1-N-(furan-3-ylmethyl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-(3-fluorophenyl)-1-N-(furan-3-ylmethyl)-1-N-methylpropane-1,2-diamine is CC(N)C(c1cccc(F)c1)N(C)Cc1ccoc1.
What is the InChIKey of 1-(3-fluorophenyl)-1-N-(furan-3-ylmethyl)-1-N-methylpropane-1,2-diamine?
The InChIKey is GVVDNCPIHWQICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-11(17)15(13-4-3-5-14(16)8-13)18(2)9-12-6-7-19-10-12/h3-8,10-11,15H,9,17H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-1-N-(furan-3-ylmethyl)-1-N-methylpropane-1,2-diamine?
1-(3-fluorophenyl)-1-N-(furan-3-ylmethyl)-1-N-methylpropane-1,2-diamine has a molecular weight of 262.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-N-(furan-3-ylmethyl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 55020150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).