2-(4-fluorophenyl)-2-(3-methoxypropoxy)-N-methylethanamine

C13H20FNO2 — CID 62107169

IUPAC2-(4-fluorophenyl)-2-(3-methoxypropoxy)-N-methylethanamine
SMILESCNCC(OCCCOC)c1ccc(F)cc1
InChIInChI=1S/C13H20FNO2/c1-15-10-13(17-9-3-8-16-2)11-4-6-12(14)7-5-11/h4-7,13,15H,3,8-10H2,1-2H3
InChIKeyPHSNLVDSJHIZES-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.14
Rot. Bonds8

About 2-(4-fluorophenyl)-2-(3-methoxypropoxy)-N-methylethanamine

2-(4-fluorophenyl)-2-(3-methoxypropoxy)-N-methylethanamine (PubChem CID 62107169) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(3-methoxypropoxy)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(3-methoxypropoxy)-N-methylethanamine
PubChem CID62107169
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name2-(4-fluorophenyl)-2-(3-methoxypropoxy)-N-methylethanamine
SMILESCNCC(OCCCOC)c1ccc(F)cc1
InChIInChI=1S/C13H20FNO2/c1-15-10-13(17-9-3-8-16-2)11-4-6-12(14)7-5-11/h4-7,13,15H,3,8-10H2,1-2H3
InChIKeyPHSNLVDSJHIZES-UHFFFAOYSA-N
XLogP2.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.14
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

2-(4-bromophenyl)-2-(3-methoxypropoxy)-N-methylethanamine
CID 62106281
N-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine
CID 62107518
N-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine
CID 62107517
2-(4-fluorophenyl)-N-methyl-2-(2-methylpropoxy)ethanamine
CID 62106160
2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-phenylethanamine
CID 103405244
2-(cyclopentylmethoxy)-2-(4-fluorophenyl)-N-methylethanamine
CID 66323116
2-(4-methoxyphenyl)-N-methyl-2-pentoxyethanamine
CID 62110727
2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine
CID 103405175
2-(4-fluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine
CID 62106822
N-[2-(3-methoxypropoxy)-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 62108054
2-(4-bromophenyl)-N-ethyl-2-(3-methoxypropoxy)ethanamine
CID 62106282
N-[2-(4-bromophenyl)-2-(3-methoxypropoxy)ethyl]propan-2-amine
CID 62106452

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(3-methoxypropoxy)-N-methylethanamine?
The IUPAC name of 2-(4-fluorophenyl)-2-(3-methoxypropoxy)-N-methylethanamine (CID 62107169) is 2-(4-fluorophenyl)-2-(3-methoxypropoxy)-N-methylethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(3-methoxypropoxy)-N-methylethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-2-(3-methoxypropoxy)-N-methylethanamine is CNCC(OCCCOC)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(3-methoxypropoxy)-N-methylethanamine?
The InChIKey is PHSNLVDSJHIZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-15-10-13(17-9-3-8-16-2)11-4-6-12(14)7-5-11/h4-7,13,15H,3,8-10H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-2-(3-methoxypropoxy)-N-methylethanamine?
2-(4-fluorophenyl)-2-(3-methoxypropoxy)-N-methylethanamine has a molecular weight of 241.31 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(3-methoxypropoxy)-N-methylethanamine is sourced from PubChem (CID 62107169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).