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

C11H15F2NO2 — CID 117333867

IUPAC2-(4,6-difluoro-2,3-dimethoxyphenyl)propan-1-amine
SMILESCOc1c(F)cc(F)c(C(C)CN)c1OC
InChIInChI=1S/C11H15F2NO2/c1-6(5-14)9-7(12)4-8(13)10(15-2)11(9)16-3/h4,6H,5,14H2,1-3H3
InChIKeyPYWVMCBHVBZQFW-UHFFFAOYSA-N
MW231.24 g/mol
LogP2.04
Rot. Bonds4

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

2-(4,6-difluoro-2,3-dimethoxyphenyl)propan-1-amine (PubChem CID 117333867) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is 2-(4,6-difluoro-2,3-dimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(4,6-difluoro-2,3-dimethoxyphenyl)propan-1-amine
PubChem CID117333867
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name2-(4,6-difluoro-2,3-dimethoxyphenyl)propan-1-amine
SMILESCOc1c(F)cc(F)c(C(C)CN)c1OC
InChIInChI=1S/C11H15F2NO2/c1-6(5-14)9-7(12)4-8(13)10(15-2)11(9)16-3/h4,6H,5,14H2,1-3H3
InChIKeyPYWVMCBHVBZQFW-UHFFFAOYSA-N
XLogP2.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
CID 117290019
2-(3,5-difluoro-2-methoxyphenyl)propan-1-amine
CID 83880858
2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine
CID 117471666
2-(2,6-difluoro-3,5-dimethoxyphenyl)propan-1-amine
CID 117333864
2-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)propan-1-amine
CID 117324048
2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-amine
CID 83887883
2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine
CID 117309017
2-(5,7-difluoro-1-benzofuran-4-yl)propan-1-amine
CID 117301032
2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide
CID 117414447
2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine
CID 84782781
3-(3-fluoro-2,6-dimethoxyphenyl)butan-1-amine
CID 117327116
2-(3-bromo-4-fluoro-2-methoxyphenyl)propan-1-amine
CID 83902053

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-difluoro-2,3-dimethoxyphenyl)propan-1-amine?
The IUPAC name of 2-(4,6-difluoro-2,3-dimethoxyphenyl)propan-1-amine (CID 117333867) is 2-(4,6-difluoro-2,3-dimethoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(4,6-difluoro-2,3-dimethoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(4,6-difluoro-2,3-dimethoxyphenyl)propan-1-amine is COc1c(F)cc(F)c(C(C)CN)c1OC.
What is the InChIKey of 2-(4,6-difluoro-2,3-dimethoxyphenyl)propan-1-amine?
The InChIKey is PYWVMCBHVBZQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-6(5-14)9-7(12)4-8(13)10(15-2)11(9)16-3/h4,6H,5,14H2,1-3H3.
What are the key properties of 2-(4,6-difluoro-2,3-dimethoxyphenyl)propan-1-amine?
2-(4,6-difluoro-2,3-dimethoxyphenyl)propan-1-amine has a molecular weight of 231.24 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-difluoro-2,3-dimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 117333867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).