3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-amine

C12H18FNO3 — CID 117359859

IUPAC3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-amine
SMILESCOc1cc(OC)c(OC)c(CCCN)c1F
InChIInChI=1S/C12H18FNO3/c1-15-9-7-10(16-2)12(17-3)8(11(9)13)5-4-6-14/h7H,4-6,14H2,1-3H3
InChIKeyRBEDZHRPMQCISD-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.74
Rot. Bonds6

About 3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-amine

3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-amine (PubChem CID 117359859) has the molecular formula C12H18FNO3 and a molecular weight of 243.28 g/mol. Its IUPAC name is 3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-amine
PubChem CID117359859
Molecular FormulaC12H18FNO3
Molecular Weight243.28 g/mol
Exact Mass243.13
IUPAC Name3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-amine
SMILESCOc1cc(OC)c(OC)c(CCCN)c1F
InChIInChI=1S/C12H18FNO3/c1-15-9-7-10(16-2)12(17-3)8(11(9)13)5-4-6-14/h7H,4-6,14H2,1-3H3
InChIKeyRBEDZHRPMQCISD-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-ol
CID 117362411
3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine
CID 117304223
4-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)butan-1-amine
CID 117491322
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361452
3-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-1-amine
CID 117361455
3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine
CID 84776163
4-(6-fluoro-2,3-dimethoxyphenyl)butan-1-amine
CID 117327075
3-[10-(3-aminopropyl)-2,3,6,7-tetramethoxyanthracen-9-yl]propan-1-amine;dihydrochloride
CID 10390646
3-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-1-amine
CID 84797782
3-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
CID 117290010
4-(3-chloro-2,5-difluoro-6-methoxyphenyl)butan-1-amine
CID 117377898
4-(5-chloro-2,3-difluoro-6-methoxyphenyl)butan-1-amine
CID 117377894

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-amine?
The IUPAC name of 3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-amine (CID 117359859) is 3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-amine is COc1cc(OC)c(OC)c(CCCN)c1F.
What is the InChIKey of 3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-amine?
The InChIKey is RBEDZHRPMQCISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3/c1-15-9-7-10(16-2)12(17-3)8(11(9)13)5-4-6-14/h7H,4-6,14H2,1-3H3.
What are the key properties of 3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-amine?
3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-amine has a molecular weight of 243.28 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 117359859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).