N-[[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine

C15H22FNO2 — CID 107687270

IUPACN-[[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCC2CCOC2)c(F)c1
InChIInChI=1S/C15H22FNO2/c1-2-6-17-9-12-3-4-15(14(16)8-12)19-11-13-5-7-18-10-13/h3-4,8,13,17H,2,5-7,9-11H2,1H3
InChIKeyNJXPXQVOMLWFLQ-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.74
Rot. Bonds7

About N-[[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine

N-[[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine (PubChem CID 107687270) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
PubChem CID107687270
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC NameN-[[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCC2CCOC2)c(F)c1
InChIInChI=1S/C15H22FNO2/c1-2-6-17-9-12-3-4-15(14(16)8-12)19-11-13-5-7-18-10-13/h3-4,8,13,17H,2,5-7,9-11H2,1H3
InChIKeyNJXPXQVOMLWFLQ-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.74
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-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methanol
CID 107690615
N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61313216
N-[[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61312439
N-[[3-ethoxy-4-(oxolan-3-yloxy)phenyl]methyl]propan-1-amine
CID 63556348
2-fluoro-N-methyl-N-(oxan-3-ylmethyl)-4-(propylaminomethyl)aniline
CID 63713646
N-[[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 63320061
N-[[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine
CID 107695487
N-[[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107687145
[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]methanol
CID 107690757
N-[[4-(cyclobutylmethoxy)-3-ethoxyphenyl]methyl]propan-1-amine
CID 65457532
3-[(2-fluorophenoxy)methyl]oxolane
CID 60773526
N-[[3-ethoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61311100

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine (CID 107687270) is N-[[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine is CCCNCc1ccc(OCC2CCOC2)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is NJXPXQVOMLWFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-2-6-17-9-12-3-4-15(14(16)8-12)19-11-13-5-7-18-10-13/h3-4,8,13,17H,2,5-7,9-11H2,1H3.
What are the key properties of N-[[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine?
N-[[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 267.34 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 107687270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).