N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-methoxypropan-1-amine

C15H18FNO2 — CID 17206989

IUPACN-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C15H18FNO2/c1-18-10-4-9-17-11-12-7-8-15(19-12)13-5-2-3-6-14(13)16/h2-3,5-8,17H,4,9-11H2,1H3
InChIKeyBUDINMDMISORLU-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.21
Rot. Bonds7

About N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-methoxypropan-1-amine

N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-methoxypropan-1-amine (PubChem CID 17206989) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-methoxypropan-1-amine
PubChem CID17206989
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC NameN-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C15H18FNO2/c1-18-10-4-9-17-11-12-7-8-15(19-12)13-5-2-3-6-14(13)16/h2-3,5-8,17H,4,9-11H2,1H3
InChIKeyBUDINMDMISORLU-UHFFFAOYSA-N
XLogP3.21
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[[5-(2-fluorophenyl)furan-2-yl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214280
N',N'-dibutyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]propane-1,3-diamine
CID 17214750
2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]ethanol;hydrochloride
CID 6464178
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine
CID 51051741
N',N'-diethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethane-1,2-diamine;dihydrochloride
CID 17331952
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724191
2-(3,4-dimethoxyphenyl)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethanamine
CID 4723460
3-methoxy-N-[[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 115710392
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 4723490
[5-[(3-methoxypropylamino)methyl]furan-2-yl]methanol
CID 64577829
N-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine
CID 60662772
3-butoxy-N-[[5-(2-chlorophenyl)furan-2-yl]methyl]propan-1-amine
CID 17207893

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-methoxypropan-1-amine (CID 17206989) is N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-methoxypropan-1-amine is COCCCNCc1ccc(-c2ccccc2F)o1.
What is the InChIKey of N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-methoxypropan-1-amine?
The InChIKey is BUDINMDMISORLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-18-10-4-9-17-11-12-7-8-15(19-12)13-5-2-3-6-14(13)16/h2-3,5-8,17H,4,9-11H2,1H3.
What are the key properties of N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-methoxypropan-1-amine?
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-methoxypropan-1-amine has a molecular weight of 263.31 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 17206989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).