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

C12H18FNO2 — CID 81379781

IUPACN-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethoxyethanamine
SMILESCOC(CN[C@H](C)c1ccccc1F)OC
InChIInChI=1S/C12H18FNO2/c1-9(14-8-12(15-2)16-3)10-6-4-5-7-11(10)13/h4-7,9,12,14H,8H2,1-3H3/t9-/m1/s1
InChIKeyBTSSZGYRQBSMLU-SECBINFHSA-N
MW227.28 g/mol
LogP2.10
Rot. Bonds6

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

N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethoxyethanamine (PubChem CID 81379781) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethoxyethanamine.

Molecular Properties

Compound NameN-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethoxyethanamine
PubChem CID81379781
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC NameN-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethoxyethanamine
SMILESCOC(CN[C@H](C)c1ccccc1F)OC
InChIInChI=1S/C12H18FNO2/c1-9(14-8-12(15-2)16-3)10-6-4-5-7-11(10)13/h4-7,9,12,14H,8H2,1-3H3/t9-/m1/s1
InChIKeyBTSSZGYRQBSMLU-SECBINFHSA-N
XLogP2.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.10
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

N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethoxyethanamine
CID 82964758
2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine
CID 60664124
N-[1-(2-fluorophenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115760889
1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butan-2-ol
CID 81379720
3-[1-(2-fluorophenyl)ethylamino]propane-1,2-diol
CID 60632523
N-[1-(2-fluorophenyl)ethyl]-3-methoxypropan-1-amine
CID 43205059
1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol
CID 60979791
N'-[1-(2-fluorophenyl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43201789
1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81379953
N-[(1S)-1-(4-fluorophenyl)ethyl]-2,2-dimethoxyethanamine
CID 81347893
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659047
2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 16770602

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethoxyethanamine?
The IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethoxyethanamine (CID 81379781) is N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethoxyethanamine.
What is the SMILES notation for N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethoxyethanamine?
The canonical SMILES for N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethoxyethanamine is COC(CN[C@H](C)c1ccccc1F)OC.
What is the InChIKey of N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethoxyethanamine?
The InChIKey is BTSSZGYRQBSMLU-SECBINFHSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-9(14-8-12(15-2)16-3)10-6-4-5-7-11(10)13/h4-7,9,12,14H,8H2,1-3H3/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethoxyethanamine?
N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethoxyethanamine has a molecular weight of 227.28 g/mol, XLogP of 2.10, 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]-2,2-dimethoxyethanamine is sourced from PubChem (CID 81379781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).