N-[[(1S,2S)-1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethyl]ethanamine

C14H22FNO3 — CID 163921700

IUPACN-[[(1S,2S)-1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethyl]ethanamine
SMILESCCNCO[C@@H](C)[C@@H](OCOC)c1ccccc1F
InChIInChI=1S/C14H22FNO3/c1-4-16-9-18-11(2)14(19-10-17-3)12-7-5-6-8-13(12)15/h5-8,11,14,16H,4,9-10H2,1-3H3/t11-,14+/m0/s1
InChIKeyRAXYJCUBDKLPAW-SMDDNHRTSA-N
MW271.33 g/mol
LogP2.46
Rot. Bonds9

About N-[[(1S,2S)-1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethyl]ethanamine

N-[[(1S,2S)-1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethyl]ethanamine (PubChem CID 163921700) has the molecular formula C14H22FNO3 and a molecular weight of 271.33 g/mol. Its IUPAC name is N-[[(1S,2S)-1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethyl]ethanamine.

Molecular Properties

Compound NameN-[[(1S,2S)-1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethyl]ethanamine
PubChem CID163921700
Molecular FormulaC14H22FNO3
Molecular Weight271.33 g/mol
Exact Mass271.16
IUPAC NameN-[[(1S,2S)-1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethyl]ethanamine
SMILESCCNCO[C@@H](C)[C@@H](OCOC)c1ccccc1F
InChIInChI=1S/C14H22FNO3/c1-4-16-9-18-11(2)14(19-10-17-3)12-7-5-6-8-13(12)15/h5-8,11,14,16H,4,9-10H2,1-3H3/t11-,14+/m0/s1
InChIKeyRAXYJCUBDKLPAW-SMDDNHRTSA-N
XLogP2.46
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]ethanamine
CID 11680163
benzyl N-[(2E)-4,4-difluoro-5-(2-methoxyethoxymethoxy)hexa-2,5-dienyl]carbamate
CID 102348564
4-(2-Aminoethyl)-2-ethyl-2-phenyl-1,3dioxolane
CID 73059933
[(1R)-1-phenylprop-2-enyl] N-propylcarbamate
CID 138974936
N-(2-methylpropyl)-1,5-dihydro-2,4-benzodioxepin-3-amine
CID 4153853
2-(4-Fluorophenyl)-1,3-dioxolane-2-propanamine
CID 6451539
2-[3-(Methylamino)propyl]-2-(4-fluorophenyl)-1,3-dioxolane
CID 13335708
4-[2-(4-Fluorophenyl)-1,3-dioxolan-2-yl]-1,2,3,6-tetrahydropyridine
CID 17760355
N-ethyl-3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propan-1-amine
CID 20283052
1-(2,6-difluorophenyl)ethyl N-methylcarbamate
CID 23548319
1-(2,6-difluorophenyl)ethyl N-propan-2-ylcarbamate
CID 23548320
N-ethyl[(4-fluorophenyl)methoxy]carboxamide
CID 27276366

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2S)-1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethyl]ethanamine?
The IUPAC name of N-[[(1S,2S)-1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethyl]ethanamine (CID 163921700) is N-[[(1S,2S)-1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethyl]ethanamine.
What is the SMILES notation for N-[[(1S,2S)-1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethyl]ethanamine?
The canonical SMILES for N-[[(1S,2S)-1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethyl]ethanamine is CCNCO[C@@H](C)[C@@H](OCOC)c1ccccc1F.
What is the InChIKey of N-[[(1S,2S)-1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethyl]ethanamine?
The InChIKey is RAXYJCUBDKLPAW-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H22FNO3/c1-4-16-9-18-11(2)14(19-10-17-3)12-7-5-6-8-13(12)15/h5-8,11,14,16H,4,9-10H2,1-3H3/t11-,14+/m0/s1.
What are the key properties of N-[[(1S,2S)-1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethyl]ethanamine?
N-[[(1S,2S)-1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethyl]ethanamine has a molecular weight of 271.33 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2S)-1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethyl]ethanamine is sourced from PubChem (CID 163921700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).