3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine

C10H13F2NO — CID 84776163

IUPAC3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine
SMILESCOc1cc(F)cc(F)c1CCCN
InChIInChI=1S/C10H13F2NO/c1-14-10-6-7(11)5-9(12)8(10)3-2-4-13/h5-6H,2-4,13H2,1H3
InChIKeyWADZBKPZRBBYNY-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.86
Rot. Bonds4

About 3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine

3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine (PubChem CID 84776163) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine
PubChem CID84776163
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine
SMILESCOc1cc(F)cc(F)c1CCCN
InChIInChI=1S/C10H13F2NO/c1-14-10-6-7(11)5-9(12)8(10)3-2-4-13/h5-6H,2-4,13H2,1H3
InChIKeyWADZBKPZRBBYNY-UHFFFAOYSA-N
XLogP1.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,4-difluoro-6-methoxyphenyl)propan-1-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

O-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]hydroxylamine
CID 117291281
2-(3-aminopropyl)-4-fluoro-6-methoxyphenol
CID 117288585
2-(bromomethyl)-1,5-difluoro-3-methoxybenzene
CID 130786949
3-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-1-amine
CID 84797782
3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-amine
CID 117359859
3-[10-(3-aminopropyl)-2,3,6,7-tetramethoxyanthracen-9-yl]propan-1-amine;dihydrochloride
CID 10390646
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
2-(2,4-difluoro-6-methoxyphenyl)acetonitrile
CID 84768896
3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine
CID 117304223
2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]ethanamine
CID 135380865
5-fluoro-2-(3-hydroxypropyl)-3-methoxyphenol
CID 117289240
3-(2-chloro-4,6-dimethoxyphenyl)propan-1-amine
CID 117331589

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine?
The IUPAC name of 3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine (CID 84776163) is 3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine is COc1cc(F)cc(F)c1CCCN.
What is the InChIKey of 3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine?
The InChIKey is WADZBKPZRBBYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-14-10-6-7(11)5-9(12)8(10)3-2-4-13/h5-6H,2-4,13H2,1H3.
What are the key properties of 3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine?
3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine has a molecular weight of 201.22 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 84776163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).