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

C17H23FN2O — CID 62419238

IUPACN-[[5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN(C)Cc2cccc(F)c2)o1
InChIInChI=1S/C17H23FN2O/c1-3-9-19-11-16-7-8-17(21-16)13-20(2)12-14-5-4-6-15(18)10-14/h4-8,10,19H,3,9,11-13H2,1-2H3
InChIKeyMRDJYQVIGUAYKT-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.55
Rot. Bonds8

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

N-[[5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 62419238) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is N-[[5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine
PubChem CID62419238
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC NameN-[[5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN(C)Cc2cccc(F)c2)o1
InChIInChI=1S/C17H23FN2O/c1-3-9-19-11-16-7-8-17(21-16)13-20(2)12-14-5-4-6-15(18)10-14/h4-8,10,19H,3,9,11-13H2,1-2H3
InChIKeyMRDJYQVIGUAYKT-UHFFFAOYSA-N
XLogP3.55
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.55
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

N-[[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62431944
N'-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 55084972
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62419099
N-[(3-fluorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62751596
2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propylpentane-1,2-diamine
CID 83043127
N-[[5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62139413
N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62463601
N-[(3-fluorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072825
5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607718
5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
CID 42753705
N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62462712
N-[[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62261568

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine (CID 62419238) is N-[[5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine is CCCNCc1ccc(CN(C)Cc2cccc(F)c2)o1.
What is the InChIKey of N-[[5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is MRDJYQVIGUAYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-3-9-19-11-16-7-8-17(21-16)13-20(2)12-14-5-4-6-15(18)10-14/h4-8,10,19H,3,9,11-13H2,1-2H3.
What are the key properties of N-[[5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine?
N-[[5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 290.38 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62419238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).