N-[[3-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine

C14H22FNO2 — CID 112610713

IUPACN-[[3-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCOCCOc1c(F)cccc1CNC(C)(C)C
InChIInChI=1S/C14H22FNO2/c1-14(2,3)16-10-11-6-5-7-12(15)13(11)18-9-8-17-4/h5-7,16H,8-10H2,1-4H3
InChIKeyQLSOVSDBJHVHOZ-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.74
Rot. Bonds6

About N-[[3-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[3-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 112610713) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is N-[[3-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID112610713
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC NameN-[[3-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCOCCOc1c(F)cccc1CNC(C)(C)C
InChIInChI=1S/C14H22FNO2/c1-14(2,3)16-10-11-6-5-7-12(15)13(11)18-9-8-17-4/h5-7,16H,8-10H2,1-4H3
InChIKeyQLSOVSDBJHVHOZ-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.74
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-[[2-(2-butoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 115955145
methyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate
CID 112610729
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-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 112610717
1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol
CID 112610710
1-[3-fluoro-2-(4-methoxybutoxy)phenyl]-N-methylmethanamine
CID 104647167
N-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 112609648
N-[[3-chloro-2-(4-methoxybutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 104647181
N-[[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115955206
N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115955221
N-[[3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 115955154

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 112610713) is N-[[3-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine is COCCOc1c(F)cccc1CNC(C)(C)C.
What is the InChIKey of N-[[3-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is QLSOVSDBJHVHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-14(2,3)16-10-11-6-5-7-12(15)13(11)18-9-8-17-4/h5-7,16H,8-10H2,1-4H3.
What are the key properties of N-[[3-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[3-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 255.33 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 112610713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).