N-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]propan-1-amine

C15H22FNO2 — CID 107695883

IUPACN-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(F)ccc1OC1CCOCC1
InChIInChI=1S/C15H22FNO2/c1-2-7-17-11-12-10-13(16)3-4-15(12)19-14-5-8-18-9-6-14/h3-4,10,14,17H,2,5-9,11H2,1H3
InChIKeySAHBNUZYHHZMLJ-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.88
Rot. Bonds6

About N-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]propan-1-amine

N-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]propan-1-amine (PubChem CID 107695883) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]propan-1-amine
PubChem CID107695883
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC NameN-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(F)ccc1OC1CCOCC1
InChIInChI=1S/C15H22FNO2/c1-2-7-17-11-12-10-13(16)3-4-15(12)19-14-5-8-18-9-6-14/h3-4,10,14,17H,2,5-9,11H2,1H3
InChIKeySAHBNUZYHHZMLJ-UHFFFAOYSA-N
XLogP2.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.88
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-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 107695497
N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]ethanamine
CID 113223119
N-[[4-methoxy-3-(oxan-4-yloxy)phenyl]methyl]propan-1-amine
CID 63934986
2-[4-fluoro-2-(propylaminomethyl)phenoxy]cyclohexan-1-ol
CID 107695812
N-[[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]methyl]propan-1-amine
CID 63814240
N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 107695779
[5-fluoro-2-(oxolan-3-yloxy)phenyl]methanamine
CID 63673157
N-[[5-bromo-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63937023
4-[4-fluoro-2-(propylaminomethyl)phenoxy]-1,1-dioxothiolan-3-ol
CID 107695902
1-[5-fluoro-2-(oxan-3-yloxy)phenyl]-N-methylmethanamine
CID 107695044
N-[[5-methoxy-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-1-amine
CID 64748656
N-[[5-methoxy-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63936014

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]propan-1-amine (CID 107695883) is N-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]propan-1-amine is CCCNCc1cc(F)ccc1OC1CCOCC1.
What is the InChIKey of N-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]propan-1-amine?
The InChIKey is SAHBNUZYHHZMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-2-7-17-11-12-10-13(16)3-4-15(12)19-14-5-8-18-9-6-14/h3-4,10,14,17H,2,5-9,11H2,1H3.
What are the key properties of N-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]propan-1-amine?
N-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]propan-1-amine has a molecular weight of 267.34 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 107695883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).