3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine

C11H16FNO2 — CID 117304223

IUPAC3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine
SMILESCOc1ccc(F)c(CCCN)c1OC
InChIInChI=1S/C11H16FNO2/c1-14-10-6-5-9(12)8(4-3-7-13)11(10)15-2/h5-6H,3-4,7,13H2,1-2H3
InChIKeyMONYWHUDNDMSLO-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.73
Rot. Bonds5

About 3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine

3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine (PubChem CID 117304223) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine
PubChem CID117304223
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine
SMILESCOc1ccc(F)c(CCCN)c1OC
InChIInChI=1S/C11H16FNO2/c1-14-10-6-5-9(12)8(4-3-7-13)11(10)15-2/h5-6H,3-4,7,13H2,1-2H3
InChIKeyMONYWHUDNDMSLO-UHFFFAOYSA-N
XLogP1.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-fluoro-2,3-dimethoxyphenyl)butan-1-amine
CID 117327075
3-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
CID 117290010
1-fluoro-2-(fluoromethyl)-3,4-dimethoxybenzene
CID 118830405
3-(6-chloro-2,3-dimethoxyphenyl)propan-1-amine
CID 117331594
4-(6-fluoro-2-methoxy-3-methylphenyl)butan-1-amine
CID 117301936
3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-amine
CID 117359859
3-(6-bromo-3-fluoro-2-methoxyphenyl)propan-1-amine
CID 83902095
2-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 10797664
4-(2-ethyl-3,4-dimethoxyphenyl)butan-1-amine
CID 117347670
3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine
CID 84776163
3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine
CID 84793335
4-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)butan-1-amine
CID 117491322

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine?
The IUPAC name of 3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine (CID 117304223) is 3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine is COc1ccc(F)c(CCCN)c1OC.
What is the InChIKey of 3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine?
The InChIKey is MONYWHUDNDMSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-14-10-6-5-9(12)8(4-3-7-13)11(10)15-2/h5-6H,3-4,7,13H2,1-2H3.
What are the key properties of 3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine?
3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine has a molecular weight of 213.25 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 117304223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).