N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine

C15H24FNO2 — CID 81107025

IUPACN-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(CNC(C)(C)C)c(OCCCF)c1
InChIInChI=1S/C15H24FNO2/c1-15(2,3)17-11-12-6-7-13(18-4)10-14(12)19-9-5-8-16/h6-7,10,17H,5,8-9,11H2,1-4H3
InChIKeyOAZVGANYVIRRKS-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.32
Rot. Bonds7

About N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine

N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine (PubChem CID 81107025) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
PubChem CID81107025
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC NameN-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(CNC(C)(C)C)c(OCCCF)c1
InChIInChI=1S/C15H24FNO2/c1-15(2,3)17-11-12-6-7-13(18-4)10-14(12)19-9-5-8-16/h6-7,10,17H,5,8-9,11H2,1-4H3
InChIKeyOAZVGANYVIRRKS-UHFFFAOYSA-N
XLogP3.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.32
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-[[4-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63058315
N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]ethanamine
CID 81107388
N-[[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056447
N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 55148561
2-[2-[(tert-butylamino)methyl]-5-methoxyphenoxy]acetonitrile
CID 63056618
N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056468
N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63062146
N-[[4-methoxy-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056628
N-[[4-methoxy-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63485491
N-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115978954
N-[(2-cyclohexyloxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63056453
6-[5-methoxy-2-(methylaminomethyl)phenoxy]-2,2-dimethylhexanenitrile
CID 106708799

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine (CID 81107025) is N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine is COc1ccc(CNC(C)(C)C)c(OCCCF)c1.
What is the InChIKey of N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is OAZVGANYVIRRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-15(2,3)17-11-12-6-7-13(18-4)10-14(12)19-9-5-8-16/h6-7,10,17H,5,8-9,11H2,1-4H3.
What are the key properties of N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine?
N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 269.36 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81107025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).