N-[2-(4-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine

C16H24FNO2 — CID 62107771

IUPACN-[2-(4-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine
SMILESCCCNCC(OCC1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO2/c1-2-9-18-11-16(13-5-7-14(17)8-6-13)20-12-15-4-3-10-19-15/h5-8,15-16,18H,2-4,9-12H2,1H3
InChIKeyJNKVFVTVMZIIEI-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.06
Rot. Bonds8

About N-[2-(4-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine

N-[2-(4-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine (PubChem CID 62107771) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine
PubChem CID62107771
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC NameN-[2-(4-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine
SMILESCCCNCC(OCC1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO2/c1-2-9-18-11-16(13-5-7-14(17)8-6-13)20-12-15-4-3-10-19-15/h5-8,15-16,18H,2-4,9-12H2,1H3
InChIKeyJNKVFVTVMZIIEI-UHFFFAOYSA-N
XLogP3.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.06
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-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine
CID 62107945
2-(4-fluorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 79437798
2-(4-chlorophenyl)-N-ethyl-2-(oxan-2-ylmethoxy)ethanamine
CID 62106135
N-[2-(4-fluorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine
CID 62107691
N-[2-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine
CID 62106890
2-methyl-N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]propan-1-amine
CID 62445664
2-(cyclopropylmethoxy)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 55036276
N-[2-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-1-amine
CID 63474259
2-(oxan-2-ylmethoxy)-N-propylbutan-1-amine
CID 62443742
N-ethyl-2-(2-fluorophenyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 62108277
(2S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 98762105
2-(2-bromophenyl)-N-ethyl-2-(oxolan-2-ylmethoxy)ethanamine
CID 62107604

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine (CID 62107771) is N-[2-(4-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine is CCCNCC(OCC1CCCO1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine?
The InChIKey is JNKVFVTVMZIIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-2-9-18-11-16(13-5-7-14(17)8-6-13)20-12-15-4-3-10-19-15/h5-8,15-16,18H,2-4,9-12H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine?
N-[2-(4-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine has a molecular weight of 281.37 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 62107771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).