N-[[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine

C17H23FN2O — CID 62411816

IUPACN-[[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C17H23FN2O/c1-3-9-19-11-17-15(8-10-21-17)13-20(2)12-14-4-6-16(18)7-5-14/h4-8,10,19H,3,9,11-13H2,1-2H3
InChIKeyNLEWRVSFWDPLCV-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.55
Rot. Bonds8

About N-[[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine

N-[[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 62411816) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is N-[[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine
PubChem CID62411816
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC NameN-[[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C17H23FN2O/c1-3-9-19-11-17-15(8-10-21-17)13-20(2)12-14-4-6-16(18)7-5-14/h4-8,10,19H,3,9,11-13H2,1-2H3
InChIKeyNLEWRVSFWDPLCV-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-[[3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62461529
N,2,2-trimethyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine
CID 62462443
N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methyl]propan-1-amine
CID 62412365
N-[[2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine
CID 62413581
2-fluoro-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]aniline
CID 62434727
N-[[3-(diethylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 62438844
3-methoxy-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine
CID 63008845
N,2-dimethyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]butan-2-amine
CID 63964105
1-ethyl-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]piperidin-4-amine
CID 62436022
4-fluoro-N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]aniline
CID 62436761
N,N,N'-trimethyl-N'-[[3-(propylaminomethyl)furan-2-yl]methyl]propane-1,3-diamine
CID 63726681
N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine
CID 62461191

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine (CID 62411816) is N-[[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine is CCCNCc1occc1CN(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is NLEWRVSFWDPLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-3-9-19-11-17-15(8-10-21-17)13-20(2)12-14-4-6-16(18)7-5-14/h4-8,10,19H,3,9,11-13H2,1-2H3.
What are the key properties of N-[[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine?
N-[[3-[[(4-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-[[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62411816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).