N-[(1R)-1-(2-fluorophenyl)ethyl]-1,1-dimethoxypropan-2-amine

C13H20FNO2 — CID 81380728

IUPACN-[(1R)-1-(2-fluorophenyl)ethyl]-1,1-dimethoxypropan-2-amine
SMILESCOC(OC)C(C)N[C@H](C)c1ccccc1F
InChIInChI=1S/C13H20FNO2/c1-9(11-7-5-6-8-12(11)14)15-10(2)13(16-3)17-4/h5-10,13,15H,1-4H3/t9-,10?/m1/s1
InChIKeyPETLJRRCMNGDCY-YHMJZVADSA-N
MW241.31 g/mol
LogP2.48
Rot. Bonds6

About N-[(1R)-1-(2-fluorophenyl)ethyl]-1,1-dimethoxypropan-2-amine

N-[(1R)-1-(2-fluorophenyl)ethyl]-1,1-dimethoxypropan-2-amine (PubChem CID 81380728) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is N-[(1R)-1-(2-fluorophenyl)ethyl]-1,1-dimethoxypropan-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-fluorophenyl)ethyl]-1,1-dimethoxypropan-2-amine
PubChem CID81380728
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC NameN-[(1R)-1-(2-fluorophenyl)ethyl]-1,1-dimethoxypropan-2-amine
SMILESCOC(OC)C(C)N[C@H](C)c1ccccc1F
InChIInChI=1S/C13H20FNO2/c1-9(11-7-5-6-8-12(11)14)15-10(2)13(16-3)17-4/h5-10,13,15H,1-4H3/t9-,10?/m1/s1
InChIKeyPETLJRRCMNGDCY-YHMJZVADSA-N
XLogP2.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]-3-methylbutanoate
CID 43414590
3-[1-(2-fluorophenyl)ethylamino]-2-methylbutanoic acid
CID 79391328
methyl 2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate
CID 81380721
methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]propanoate
CID 43225088
(1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81375681
N-[1-(2,6-difluorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60923909
(1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 81379784
N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethoxyethanamine
CID 81379781
N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine
CID 60928177
N-[1-(2,3-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 115897219
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 43692550
N-[1-(2-fluorophenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115760889

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]-1,1-dimethoxypropan-2-amine?
The IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]-1,1-dimethoxypropan-2-amine (CID 81380728) is N-[(1R)-1-(2-fluorophenyl)ethyl]-1,1-dimethoxypropan-2-amine.
What is the SMILES notation for N-[(1R)-1-(2-fluorophenyl)ethyl]-1,1-dimethoxypropan-2-amine?
The canonical SMILES for N-[(1R)-1-(2-fluorophenyl)ethyl]-1,1-dimethoxypropan-2-amine is COC(OC)C(C)N[C@H](C)c1ccccc1F.
What is the InChIKey of N-[(1R)-1-(2-fluorophenyl)ethyl]-1,1-dimethoxypropan-2-amine?
The InChIKey is PETLJRRCMNGDCY-YHMJZVADSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-9(11-7-5-6-8-12(11)14)15-10(2)13(16-3)17-4/h5-10,13,15H,1-4H3/t9-,10?/m1/s1.
What are the key properties of N-[(1R)-1-(2-fluorophenyl)ethyl]-1,1-dimethoxypropan-2-amine?
N-[(1R)-1-(2-fluorophenyl)ethyl]-1,1-dimethoxypropan-2-amine has a molecular weight of 241.31 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-fluorophenyl)ethyl]-1,1-dimethoxypropan-2-amine is sourced from PubChem (CID 81380728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).