N-[2-(2-fluorophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine

C17H28FNO — CID 62109223

IUPACN-[2-(2-fluorophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine
SMILESCCCCCOC(CNC(C)(C)C)c1ccccc1F
InChIInChI=1S/C17H28FNO/c1-5-6-9-12-20-16(13-19-17(2,3)4)14-10-7-8-11-15(14)18/h7-8,10-11,16,19H,5-6,9,12-13H2,1-4H3
InChIKeyIDQLXGCYFMIYNW-UHFFFAOYSA-N
MW281.41 g/mol
LogP4.46
Rot. Bonds8

About N-[2-(2-fluorophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine

N-[2-(2-fluorophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine (PubChem CID 62109223) has the molecular formula C17H28FNO and a molecular weight of 281.41 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine
PubChem CID62109223
Molecular FormulaC17H28FNO
Molecular Weight281.41 g/mol
Exact Mass281.22
IUPAC NameN-[2-(2-fluorophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine
SMILESCCCCCOC(CNC(C)(C)C)c1ccccc1F
InChIInChI=1S/C17H28FNO/c1-5-6-9-12-20-16(13-19-17(2,3)4)14-10-7-8-11-15(14)18/h7-8,10-11,16,19H,5-6,9,12-13H2,1-4H3
InChIKeyIDQLXGCYFMIYNW-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine
CID 62108236
N-[2-(2-fluorophenyl)-2-(2-propoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 63685998
N-ethyl-2-(2-fluorophenyl)-2-pentoxyethanamine
CID 55036773
N-[2-(2-fluorophenyl)-2-(3-methylbutoxy)ethyl]-2-methylpropan-2-amine
CID 62107937
N-[2-(3-fluorophenyl)-2-hexoxyethyl]-2-methylpropan-2-amine
CID 63475905
2-(2-fluorophenyl)-N-methyl-2-propoxyethanamine
CID 62108186
N-[2-(4-bromophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine
CID 63475206
N-[2-(3-methoxypropoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 62108762
N-[2-cyclohexyloxy-2-(2-fluorophenyl)ethyl]-2-methylpropan-2-amine
CID 62106464
N-[2-(2-methoxyethoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 55036431
N-[2-(2-chlorophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62105956
2-(2-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)-N-methylethanamine
CID 106667015

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(2-fluorophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine (CID 62109223) is N-[2-(2-fluorophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine is CCCCCOC(CNC(C)(C)C)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine?
The InChIKey is IDQLXGCYFMIYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-5-6-9-12-20-16(13-19-17(2,3)4)14-10-7-8-11-15(14)18/h7-8,10-11,16,19H,5-6,9,12-13H2,1-4H3.
What are the key properties of N-[2-(2-fluorophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine?
N-[2-(2-fluorophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine has a molecular weight of 281.41 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62109223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).