2-(2-fluoro-3,6-dimethoxyphenyl)propan-2-amine

C11H16FNO2 — CID 84782823

IUPAC2-(2-fluoro-3,6-dimethoxyphenyl)propan-2-amine
SMILESCOc1ccc(OC)c(C(C)(C)N)c1F
InChIInChI=1S/C11H16FNO2/c1-11(2,13)9-7(14-3)5-6-8(15-4)10(9)12/h5-6H,13H2,1-4H3
InChIKeySRODDRYREJJHEO-UHFFFAOYSA-N
MW213.25 g/mol
LogP2.04
Rot. Bonds3

About 2-(2-fluoro-3,6-dimethoxyphenyl)propan-2-amine

2-(2-fluoro-3,6-dimethoxyphenyl)propan-2-amine (PubChem CID 84782823) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 2-(2-fluoro-3,6-dimethoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(2-fluoro-3,6-dimethoxyphenyl)propan-2-amine
PubChem CID84782823
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name2-(2-fluoro-3,6-dimethoxyphenyl)propan-2-amine
SMILESCOc1ccc(OC)c(C(C)(C)N)c1F
InChIInChI=1S/C11H16FNO2/c1-11(2,13)9-7(14-3)5-6-8(15-4)10(9)12/h5-6H,13H2,1-4H3
InChIKeySRODDRYREJJHEO-UHFFFAOYSA-N
XLogP2.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-fluoro-3,6-dimethoxyphenyl)propan-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

2-(2,3-difluoro-6-methoxyphenyl)propan-2-amine
CID 83410012
2-(2-bromo-3,6-dimethoxyphenyl)propan-2-amine
CID 84810436
2-(3-bromo-6-methoxy-2-methylphenyl)propan-2-amine
CID 84805905
3-(2-fluoro-3,6-dimethoxyphenyl)-3-methylbutanoic acid
CID 117393930
2-(2,3,5-trifluoro-6-methoxyphenyl)propan-2-amine
CID 117311862
2-(6-bromo-2-fluoro-3-methoxyphenyl)-1,1,1-trifluoropropan-2-ol
CID 171366026
1-(3-fluoro-2,6-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117327192
2-(3-chloro-6-fluoro-2-methoxyphenyl)propan-2-amine
CID 117310322
2-chloro-1,3-difluoro-4-methoxybenzene
CID 121229982
O-[2-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine
CID 117291282
1-tert-butyl-2-chloro-3-fluoro-4-methoxybenzene
CID 90305817
2-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 10797664

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3,6-dimethoxyphenyl)propan-2-amine?
The IUPAC name of 2-(2-fluoro-3,6-dimethoxyphenyl)propan-2-amine (CID 84782823) is 2-(2-fluoro-3,6-dimethoxyphenyl)propan-2-amine.
What is the SMILES notation for 2-(2-fluoro-3,6-dimethoxyphenyl)propan-2-amine?
The canonical SMILES for 2-(2-fluoro-3,6-dimethoxyphenyl)propan-2-amine is COc1ccc(OC)c(C(C)(C)N)c1F.
What is the InChIKey of 2-(2-fluoro-3,6-dimethoxyphenyl)propan-2-amine?
The InChIKey is SRODDRYREJJHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-11(2,13)9-7(14-3)5-6-8(15-4)10(9)12/h5-6H,13H2,1-4H3.
What are the key properties of 2-(2-fluoro-3,6-dimethoxyphenyl)propan-2-amine?
2-(2-fluoro-3,6-dimethoxyphenyl)propan-2-amine has a molecular weight of 213.25 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3,6-dimethoxyphenyl)propan-2-amine is sourced from PubChem (CID 84782823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).