N-[(2-fluorophenyl)methyl]-2,2-dimethoxy-N-methylethanamine

C12H18FNO2 — CID 66224055

IUPACN-[(2-fluorophenyl)methyl]-2,2-dimethoxy-N-methylethanamine
SMILESCOC(CN(C)Cc1ccccc1F)OC
InChIInChI=1S/C12H18FNO2/c1-14(9-12(15-2)16-3)8-10-6-4-5-7-11(10)13/h4-7,12H,8-9H2,1-3H3
InChIKeyATIVNRXYJPOMBL-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.88
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-2,2-dimethoxy-N-methylethanamine

N-[(2-fluorophenyl)methyl]-2,2-dimethoxy-N-methylethanamine (PubChem CID 66224055) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2,2-dimethoxy-N-methylethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2,2-dimethoxy-N-methylethanamine
PubChem CID66224055
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC NameN-[(2-fluorophenyl)methyl]-2,2-dimethoxy-N-methylethanamine
SMILESCOC(CN(C)Cc1ccccc1F)OC
InChIInChI=1S/C12H18FNO2/c1-14(9-12(15-2)16-3)8-10-6-4-5-7-11(10)13/h4-7,12H,8-9H2,1-3H3
InChIKeyATIVNRXYJPOMBL-UHFFFAOYSA-N
XLogP1.88
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.88
H-Bond Donors ≤ 50
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

1-(2-fluorophenyl)-N-(methoxymethyl)-N-methylmethanamine
CID 115258763
2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 65233471
1-chloro-3-[(2-fluorophenyl)methyl-methylamino]propan-2-ol
CID 112561326
3-[(2-fluorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 61412681
N'-[(2-fluorophenyl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine
CID 43575716
3-amino-4-[(2-fluorophenyl)methyl-methylamino]butan-1-ol
CID 64899213
1-(2,4-difluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519950
propan-2-yl 2-[(2-fluorophenyl)methyl-methylamino]acetate
CID 54940308
3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 60674294
N'-[(2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374430
3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine
CID 61412579
N',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 783899

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2,2-dimethoxy-N-methylethanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2,2-dimethoxy-N-methylethanamine (CID 66224055) is N-[(2-fluorophenyl)methyl]-2,2-dimethoxy-N-methylethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2,2-dimethoxy-N-methylethanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2,2-dimethoxy-N-methylethanamine is COC(CN(C)Cc1ccccc1F)OC.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2,2-dimethoxy-N-methylethanamine?
The InChIKey is ATIVNRXYJPOMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-14(9-12(15-2)16-3)8-10-6-4-5-7-11(10)13/h4-7,12H,8-9H2,1-3H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-2,2-dimethoxy-N-methylethanamine?
N-[(2-fluorophenyl)methyl]-2,2-dimethoxy-N-methylethanamine has a molecular weight of 227.28 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2,2-dimethoxy-N-methylethanamine is sourced from PubChem (CID 66224055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).