N-[[2-(2-butoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine

C17H28FNO2 — CID 115955145

IUPACN-[[2-(2-butoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
SMILESCCCCOCCOc1c(F)cccc1CNC(C)(C)C
InChIInChI=1S/C17H28FNO2/c1-5-6-10-20-11-12-21-16-14(8-7-9-15(16)18)13-19-17(2,3)4/h7-9,19H,5-6,10-13H2,1-4H3
InChIKeyAWDWHPKSFGRUIZ-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.91
Rot. Bonds9

About N-[[2-(2-butoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine

N-[[2-(2-butoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine (PubChem CID 115955145) has the molecular formula C17H28FNO2 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-[[2-(2-butoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-butoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
PubChem CID115955145
Molecular FormulaC17H28FNO2
Molecular Weight297.41 g/mol
Exact Mass297.21
IUPAC NameN-[[2-(2-butoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
SMILESCCCCOCCOc1c(F)cccc1CNC(C)(C)C
InChIInChI=1S/C17H28FNO2/c1-5-6-10-20-11-12-21-16-14(8-7-9-15(16)18)13-19-17(2,3)4/h7-9,19H,5-6,10-13H2,1-4H3
InChIKeyAWDWHPKSFGRUIZ-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.91
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-[[3-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 112610713
N-[(2-butoxy-3-fluorophenyl)methyl]propan-1-amine
CID 112609722
N-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine
CID 112609819
N-[[3-fluoro-2-(2-propoxyethoxy)phenyl]methyl]cyclopropanamine
CID 106450602
N-[(5-fluoronaphthalen-1-yl)methyl]-2-methylpropan-2-amine
CID 164935784
4-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]-N-methylbutanamide
CID 115955151
N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115955221
N-[(2-heptoxy-3-methylphenyl)methyl]-2-methylpropan-2-amine
CID 115954178
N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 112610717
1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol
CID 112610710
N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847865
N-[[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine
CID 115953414

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-butoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(2-butoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine (CID 115955145) is N-[[2-(2-butoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(2-butoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(2-butoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine is CCCCOCCOc1c(F)cccc1CNC(C)(C)C.
What is the InChIKey of N-[[2-(2-butoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is AWDWHPKSFGRUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO2/c1-5-6-10-20-11-12-21-16-14(8-7-9-15(16)18)13-19-17(2,3)4/h7-9,19H,5-6,10-13H2,1-4H3.
What are the key properties of N-[[2-(2-butoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine?
N-[[2-(2-butoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 297.41 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-butoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 115955145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).