2-[(3-fluorophenyl)methyl]-3-(furan-3-yl)-N-methylpropan-1-amine

C15H18FNO — CID 83182297

IUPAC2-[(3-fluorophenyl)methyl]-3-(furan-3-yl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccoc1)Cc1cccc(F)c1
InChIInChI=1S/C15H18FNO/c1-17-10-14(8-13-5-6-18-11-13)7-12-3-2-4-15(16)9-12/h2-6,9,11,14,17H,7-8,10H2,1H3
InChIKeyRRDQYPSOSRZOHK-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.04
Rot. Bonds6

About 2-[(3-fluorophenyl)methyl]-3-(furan-3-yl)-N-methylpropan-1-amine

2-[(3-fluorophenyl)methyl]-3-(furan-3-yl)-N-methylpropan-1-amine (PubChem CID 83182297) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-3-(furan-3-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-3-(furan-3-yl)-N-methylpropan-1-amine
PubChem CID83182297
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name2-[(3-fluorophenyl)methyl]-3-(furan-3-yl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccoc1)Cc1cccc(F)c1
InChIInChI=1S/C15H18FNO/c1-17-10-14(8-13-5-6-18-11-13)7-12-3-2-4-15(16)9-12/h2-6,9,11,14,17H,7-8,10H2,1H3
InChIKeyRRDQYPSOSRZOHK-UHFFFAOYSA-N
XLogP3.04
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluorophenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 62515206
N-ethyl-1-(3-fluorophenyl)-3-(furan-3-yl)propan-2-amine
CID 83175905
N-ethyl-2-(3-fluorophenyl)-3-(furan-3-yl)propan-1-amine
CID 83182511
3-[(3-fluorophenyl)methyl]-4-(methylamino)butanoic acid
CID 155217766
2-[(3-chloro-2-fluorophenyl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 102858686
2-[(3,5-difluorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105408067
2-[(3-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 62516456
1-(3-fluorophenyl)-N-[(2R)-1-(furan-3-yl)propan-2-yl]methanesulfonamide
CID 99873201
2-[(3-fluorophenyl)methyl]-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014372
5-ethylsulfonyl-2-[(3-fluorophenyl)methyl]-N-methylpentan-1-amine
CID 65097069
1-(3-fluorophenyl)-2-(furan-3-yl)ethanol
CID 83171476
2-(furan-3-ylmethyl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine
CID 83182797

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-3-(furan-3-yl)-N-methylpropan-1-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-3-(furan-3-yl)-N-methylpropan-1-amine (CID 83182297) is 2-[(3-fluorophenyl)methyl]-3-(furan-3-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-3-(furan-3-yl)-N-methylpropan-1-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-3-(furan-3-yl)-N-methylpropan-1-amine is CNCC(Cc1ccoc1)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-3-(furan-3-yl)-N-methylpropan-1-amine?
The InChIKey is RRDQYPSOSRZOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-17-10-14(8-13-5-6-18-11-13)7-12-3-2-4-15(16)9-12/h2-6,9,11,14,17H,7-8,10H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-3-(furan-3-yl)-N-methylpropan-1-amine?
2-[(3-fluorophenyl)methyl]-3-(furan-3-yl)-N-methylpropan-1-amine has a molecular weight of 247.31 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-3-(furan-3-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 83182297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).