N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine

C12H18FNO2 — CID 47014867

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine
SMILESCOCCN(C)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C12H18FNO2/c1-14(6-7-15-2)9-10-4-5-12(16-3)11(13)8-10/h4-5,8H,6-7,9H2,1-3H3
InChIKeyZCWUSHDOZFDFQA-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.91
Rot. Bonds6

About N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine (PubChem CID 47014867) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine
PubChem CID47014867
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine
SMILESCOCCN(C)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C12H18FNO2/c1-14(6-7-15-2)9-10-4-5-12(16-3)11(13)8-10/h4-5,8H,6-7,9H2,1-3H3
InChIKeyZCWUSHDOZFDFQA-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 86978948
2-methoxy-N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-N-methylethanamine
CID 171480765
N'-[(3-fluoro-4-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 55091045
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide
CID 60681417
N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 54992107
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanamine
CID 78789134
2-(3-fluoro-4-methoxyphenyl)acetaldehyde
CID 62796139
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
2-methoxy-N-[[4-methoxy-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-N-methylethanamine
CID 165420384
2-amino-3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-ol
CID 115120667
N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373768
2-methoxy-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 62019469

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine (CID 47014867) is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine is COCCN(C)Cc1ccc(OC)c(F)c1.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine?
The InChIKey is ZCWUSHDOZFDFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-14(6-7-15-2)9-10-4-5-12(16-3)11(13)8-10/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine?
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine has a molecular weight of 227.28 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine is sourced from PubChem (CID 47014867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).