1-[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylmethanamine

C13H20FNO3 — CID 123264272

IUPAC1-[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylmethanamine
SMILESCNCOC(C)C(OCOC)c1ccccc1F
InChIInChI=1S/C13H20FNO3/c1-10(17-8-15-2)13(18-9-16-3)11-6-4-5-7-12(11)14/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyLMLXNSYPCBZFEP-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.07
Rot. Bonds8

About 1-[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylmethanamine

1-[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylmethanamine (PubChem CID 123264272) has the molecular formula C13H20FNO3 and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylmethanamine
PubChem CID123264272
Molecular FormulaC13H20FNO3
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name1-[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylmethanamine
SMILESCNCOC(C)C(OCOC)c1ccccc1F
InChIInChI=1S/C13H20FNO3/c1-10(17-8-15-2)13(18-9-16-3)11-6-4-5-7-12(11)14/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyLMLXNSYPCBZFEP-UHFFFAOYSA-N
XLogP2.07
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Phenylmethyl N-[(1-methylethoxy)methyl]carbamate
CID 42614401
2-(diphenylmethoxy)-N,N-dimethylamine
CID 129691406
2-[3-(Methylamino)propyl]-2-(4-fluorophenyl)-1,3-dioxolane
CID 13335708
N-ethyl-3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propan-1-amine
CID 20283052
(2-fluorophenyl)methyl N-methylcarbamate
CID 20688822
(4-fluorophenyl)methyl N-methylcarbamate
CID 20688827
(2,4-difluorophenyl)methyl N-methylcarbamate
CID 23058452
1-(2,6-difluorophenyl)ethyl N-methylcarbamate
CID 23548319
(2,5-difluorophenyl)methyl N-methylcarbamate
CID 23548487
(2,2,2-trifluoro-1-phenylethyl) N-methylcarbamate
CID 57488102
1-(2-Fluorophenyl)ethyl carbamate
CID 66709587
1-[1-(2-Fluorophenyl)cyclohexyl]oxypropoxymethanamine
CID 67075201

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylmethanamine?
The IUPAC name of 1-[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylmethanamine (CID 123264272) is 1-[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylmethanamine is CNCOC(C)C(OCOC)c1ccccc1F.
What is the InChIKey of 1-[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylmethanamine?
The InChIKey is LMLXNSYPCBZFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO3/c1-10(17-8-15-2)13(18-9-16-3)11-6-4-5-7-12(11)14/h4-7,10,13,15H,8-9H2,1-3H3.
What are the key properties of 1-[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylmethanamine?
1-[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylmethanamine has a molecular weight of 257.30 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylmethanamine is sourced from PubChem (CID 123264272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).