N-[[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-1-amine

C17H27FN2O — CID 62261568

IUPACN-[[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN(C)Cc2cccc(F)c2)CCOC1
InChIInChI=1S/C17H27FN2O/c1-3-8-19-12-17(7-9-21-14-17)13-20(2)11-15-5-4-6-16(18)10-15/h4-6,10,19H,3,7-9,11-14H2,1-2H3
InChIKeyQXHCHMPWZPPBGU-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.66
Rot. Bonds8

About N-[[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-1-amine

N-[[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-1-amine (PubChem CID 62261568) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is N-[[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-1-amine
PubChem CID62261568
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC NameN-[[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN(C)Cc2cccc(F)c2)CCOC1
InChIInChI=1S/C17H27FN2O/c1-3-8-19-12-17(7-9-21-14-17)13-20(2)11-15-5-4-6-16(18)10-15/h4-6,10,19H,3,7-9,11-14H2,1-2H3
InChIKeyQXHCHMPWZPPBGU-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.66
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

[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methanol
CID 62271267
N-[[3-[[benzyl(methyl)amino]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63741702
N-[[3-[[ethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62262903
N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 62392692
N-[[4-[[(3-bromophenyl)methyl-methylamino]methyl]oxan-4-yl]methyl]ethanamine
CID 62390459
N-[[3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62255991
N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62719920
N-[[3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 105374955
N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]aniline
CID 62263802
4-[methyl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]phenol
CID 62261909
1-(3-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]methanamine
CID 62390445
N-[[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391838

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-1-amine (CID 62261568) is N-[[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-1-amine is CCCNCC1(CN(C)Cc2cccc(F)c2)CCOC1.
What is the InChIKey of N-[[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is QXHCHMPWZPPBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-3-8-19-12-17(7-9-21-14-17)13-20(2)11-15-5-4-6-16(18)10-15/h4-6,10,19H,3,7-9,11-14H2,1-2H3.
What are the key properties of N-[[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-1-amine?
N-[[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 294.41 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62261568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).