2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]propan-2-amine

C12H18FNO2 — CID 117327201

IUPAC2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]propan-2-amine
SMILESCOCc1ccc(C(C)(C)N)c(OC)c1F
InChIInChI=1S/C12H18FNO2/c1-12(2,14)9-6-5-8(7-15-3)10(13)11(9)16-4/h5-6H,7,14H2,1-4H3
InChIKeyQKBDSNWFHKAJHD-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.17
Rot. Bonds4

About 2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]propan-2-amine

2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]propan-2-amine (PubChem CID 117327201) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]propan-2-amine
PubChem CID117327201
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]propan-2-amine
SMILESCOCc1ccc(C(C)(C)N)c(OC)c1F
InChIInChI=1S/C12H18FNO2/c1-12(2,14)9-6-5-8(7-15-3)10(13)11(9)16-4/h5-6H,7,14H2,1-4H3
InChIKeyQKBDSNWFHKAJHD-UHFFFAOYSA-N
XLogP2.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]ethanol
CID 117330299
O-[[2,3-dimethoxy-4-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117326901
1-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117302099
1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117355422
3-fluoro-2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 130328241
1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117327193
6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol
CID 117288541
2-(3-ethyl-2-methoxyphenyl)propan-2-amine
CID 117284071
2-(5-bromo-3,4-difluoro-2-methoxyphenyl)propan-2-amine
CID 117449379
4-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117416887
1-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-2-(methylamino)ethanol
CID 117359829
1-(2,2-dimethylpropyl)-2,4-difluoro-3-methoxybenzene
CID 59139832

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]propan-2-amine?
The IUPAC name of 2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]propan-2-amine (CID 117327201) is 2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]propan-2-amine?
The canonical SMILES for 2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]propan-2-amine is COCc1ccc(C(C)(C)N)c(OC)c1F.
What is the InChIKey of 2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]propan-2-amine?
The InChIKey is QKBDSNWFHKAJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-12(2,14)9-6-5-8(7-15-3)10(13)11(9)16-4/h5-6H,7,14H2,1-4H3.
What are the key properties of 2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]propan-2-amine?
2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]propan-2-amine has a molecular weight of 227.28 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]propan-2-amine is sourced from PubChem (CID 117327201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).