2-(3,4-dimethoxyphenyl)-2-fluoro-N-methylpropan-1-amine

C12H18FNO2 — CID 105424304

IUPAC2-(3,4-dimethoxyphenyl)-2-fluoro-N-methylpropan-1-amine
SMILESCNCC(C)(F)c1ccc(OC)c(OC)c1
InChIInChI=1S/C12H18FNO2/c1-12(13,8-14-2)9-5-6-10(15-3)11(7-9)16-4/h5-7,14H,8H2,1-4H3
InChIKeyMTWYDFFUEFJAOF-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.11
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-2-fluoro-N-methylpropan-1-amine

2-(3,4-dimethoxyphenyl)-2-fluoro-N-methylpropan-1-amine (PubChem CID 105424304) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-2-fluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-2-fluoro-N-methylpropan-1-amine
PubChem CID105424304
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name2-(3,4-dimethoxyphenyl)-2-fluoro-N-methylpropan-1-amine
SMILESCNCC(C)(F)c1ccc(OC)c(OC)c1
InChIInChI=1S/C12H18FNO2/c1-12(13,8-14-2)9-5-6-10(15-3)11(7-9)16-4/h5-7,14H,8H2,1-4H3
InChIKeyMTWYDFFUEFJAOF-UHFFFAOYSA-N
XLogP2.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-fluoro-1-(methylamino)propan-2-yl]-2-methoxyphenol
CID 105425995
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-fluoro-4-methoxyaniline
CID 110452442
2-(3-chloro-4-methoxyphenyl)-N,2-dimethylpropan-1-amine
CID 82081284
2-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62595876
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine
CID 62595328
N-[2-(3,4-dimethoxyphenyl)-2,2-difluoroethyl]-2-methylpropan-1-amine
CID 83107503
2-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 66205999
1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2,3-dimethylguanidine;hydroiodide
CID 111105582
2-(3,4-dimethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118535888
N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propane-1,3-diamine
CID 115197549
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2-(methylamino)acetamide
CID 110460450
2-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132665

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-2-fluoro-N-methylpropan-1-amine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-2-fluoro-N-methylpropan-1-amine (CID 105424304) is 2-(3,4-dimethoxyphenyl)-2-fluoro-N-methylpropan-1-amine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-2-fluoro-N-methylpropan-1-amine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-2-fluoro-N-methylpropan-1-amine is CNCC(C)(F)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-2-fluoro-N-methylpropan-1-amine?
The InChIKey is MTWYDFFUEFJAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-12(13,8-14-2)9-5-6-10(15-3)11(7-9)16-4/h5-7,14H,8H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-2-fluoro-N-methylpropan-1-amine?
2-(3,4-dimethoxyphenyl)-2-fluoro-N-methylpropan-1-amine has a molecular weight of 227.28 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-2-fluoro-N-methylpropan-1-amine is sourced from PubChem (CID 105424304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).