3-(3-fluoro-4-methoxyphenyl)-1,1-dimethoxypropan-2-amine

C12H18FNO3 — CID 79493441

IUPAC3-(3-fluoro-4-methoxyphenyl)-1,1-dimethoxypropan-2-amine
SMILESCOc1ccc(CC(N)C(OC)OC)cc1F
InChIInChI=1S/C12H18FNO3/c1-15-11-5-4-8(6-9(11)13)7-10(14)12(16-2)17-3/h4-6,10,12H,7,14H2,1-3H3
InChIKeySZOQTPQFYZPLJR-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.32
Rot. Bonds6

About 3-(3-fluoro-4-methoxyphenyl)-1,1-dimethoxypropan-2-amine

3-(3-fluoro-4-methoxyphenyl)-1,1-dimethoxypropan-2-amine (PubChem CID 79493441) has the molecular formula C12H18FNO3 and a molecular weight of 243.28 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-1,1-dimethoxypropan-2-amine.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-1,1-dimethoxypropan-2-amine
PubChem CID79493441
Molecular FormulaC12H18FNO3
Molecular Weight243.28 g/mol
Exact Mass243.13
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-1,1-dimethoxypropan-2-amine
SMILESCOc1ccc(CC(N)C(OC)OC)cc1F
InChIInChI=1S/C12H18FNO3/c1-15-11-5-4-8(6-9(11)13)7-10(14)12(16-2)17-3/h4-6,10,12H,7,14H2,1-3H3
InChIKeySZOQTPQFYZPLJR-UHFFFAOYSA-N
XLogP1.32
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(3-fluoro-4-methoxyphenyl)-1,1-dimethoxypropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115829866
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63889804
1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine
CID 105122103
2-(3-fluoro-4-methoxyphenyl)-1-(5-methylfuran-2-yl)ethanamine
CID 115829621
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine
CID 62605642
1-[4-(3-fluoro-4-methoxyphenyl)phenyl]-3-methylbutan-2-amine
CID 82541755
1-(3-fluoro-4-methoxyphenyl)-3-(3-methylphenyl)propan-2-amine
CID 62604498
2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethanamine
CID 105122196
1-(2-bromo-4-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829871
1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-amine
CID 105122506
2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115829883

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-1,1-dimethoxypropan-2-amine?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-1,1-dimethoxypropan-2-amine (CID 79493441) is 3-(3-fluoro-4-methoxyphenyl)-1,1-dimethoxypropan-2-amine.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-1,1-dimethoxypropan-2-amine?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-1,1-dimethoxypropan-2-amine is COc1ccc(CC(N)C(OC)OC)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-1,1-dimethoxypropan-2-amine?
The InChIKey is SZOQTPQFYZPLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3/c1-15-11-5-4-8(6-9(11)13)7-10(14)12(16-2)17-3/h4-6,10,12H,7,14H2,1-3H3.
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-1,1-dimethoxypropan-2-amine?
3-(3-fluoro-4-methoxyphenyl)-1,1-dimethoxypropan-2-amine has a molecular weight of 243.28 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-1,1-dimethoxypropan-2-amine is sourced from PubChem (CID 79493441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).