N-[[3-ethoxy-2-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine

C16H26FNO2 — CID 81106292

IUPACN-[[3-ethoxy-2-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCCOc1cccc(CNC(C)(C)C)c1OCCCF
InChIInChI=1S/C16H26FNO2/c1-5-19-14-9-6-8-13(12-18-16(2,3)4)15(14)20-11-7-10-17/h6,8-9,18H,5,7,10-12H2,1-4H3
InChIKeyOWRTUTXXIWFMJX-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.71
Rot. Bonds8

About N-[[3-ethoxy-2-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[3-ethoxy-2-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 81106292) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[[3-ethoxy-2-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-ethoxy-2-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID81106292
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC NameN-[[3-ethoxy-2-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCCOc1cccc(CNC(C)(C)C)c1OCCCF
InChIInChI=1S/C16H26FNO2/c1-5-19-14-9-6-8-13(12-18-16(2,3)4)15(14)20-11-7-10-17/h6,8-9,18H,5,7,10-12H2,1-4H3
InChIKeyOWRTUTXXIWFMJX-UHFFFAOYSA-N
XLogP3.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.71
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

1-[2-[(tert-butylamino)methyl]-6-ethoxyphenoxy]propan-2-ol
CID 63057467
N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847865
1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine
CID 43213948
N-[[2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]ethanamine
CID 81106283
3-[2-ethoxy-6-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79629790
N-[[2-(3-fluoropropoxy)-3-methylphenyl]methyl]ethanamine
CID 112609046
N-[(2-heptoxy-3-methylphenyl)methyl]-2-methylpropan-2-amine
CID 115954178
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847891
2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol
CID 43771181
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
N-[[5-chloro-2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 104665060
3-[[2-ethoxy-6-(methylaminomethyl)phenoxy]methyl]pentan-3-ol
CID 114491680

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-2-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-ethoxy-2-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 81106292) is N-[[3-ethoxy-2-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-ethoxy-2-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-ethoxy-2-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine is CCOc1cccc(CNC(C)(C)C)c1OCCCF.
What is the InChIKey of N-[[3-ethoxy-2-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is OWRTUTXXIWFMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-5-19-14-9-6-8-13(12-18-16(2,3)4)15(14)20-11-7-10-17/h6,8-9,18H,5,7,10-12H2,1-4H3.
What are the key properties of N-[[3-ethoxy-2-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[3-ethoxy-2-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 283.39 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-2-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81106292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).