2-(2,5-difluoro-3-methoxyphenyl)propan-1-amine

C10H13F2NO — CID 117290018

IUPAC2-(2,5-difluoro-3-methoxyphenyl)propan-1-amine
SMILESCOc1cc(F)cc(C(C)CN)c1F
InChIInChI=1S/C10H13F2NO/c1-6(5-13)8-3-7(11)4-9(14-2)10(8)12/h3-4,6H,5,13H2,1-2H3
InChIKeyKZPNNGITZOBHCP-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.04
Rot. Bonds3

About 2-(2,5-difluoro-3-methoxyphenyl)propan-1-amine

2-(2,5-difluoro-3-methoxyphenyl)propan-1-amine (PubChem CID 117290018) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(2,5-difluoro-3-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,5-difluoro-3-methoxyphenyl)propan-1-amine
PubChem CID117290018
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-(2,5-difluoro-3-methoxyphenyl)propan-1-amine
SMILESCOc1cc(F)cc(C(C)CN)c1F
InChIInChI=1S/C10H13F2NO/c1-6(5-13)8-3-7(11)4-9(14-2)10(8)12/h3-4,6H,5,13H2,1-2H3
InChIKeyKZPNNGITZOBHCP-UHFFFAOYSA-N
XLogP2.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-difluoro-3,5-dimethoxyphenyl)propan-1-amine
CID 117333864
2-(2,3,5-trifluorophenyl)propan-1-amine
CID 115113253
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine
CID 117350804
2-(3,5-difluoro-2-methoxyphenyl)propan-1-amine
CID 83880858
2-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-amine
CID 117309703
2-(1-aminopropan-2-yl)-5-fluoro-3-methoxyphenol
CID 117288596
2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine
CID 84782781
2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine
CID 84806984
3-(1-aminopropan-2-yl)-2-fluoro-6-methoxyphenol
CID 117288592
2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)propan-1-amine
CID 117331001
1-(bromomethyl)-2,5-difluoro-3-methoxybenzene
CID 130936683
2-(3,5-difluoro-2-propan-2-yloxyphenyl)propan-1-amine
CID 83893597

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-3-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-(2,5-difluoro-3-methoxyphenyl)propan-1-amine (CID 117290018) is 2-(2,5-difluoro-3-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(2,5-difluoro-3-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(2,5-difluoro-3-methoxyphenyl)propan-1-amine is COc1cc(F)cc(C(C)CN)c1F.
What is the InChIKey of 2-(2,5-difluoro-3-methoxyphenyl)propan-1-amine?
The InChIKey is KZPNNGITZOBHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-6(5-13)8-3-7(11)4-9(14-2)10(8)12/h3-4,6H,5,13H2,1-2H3.
What are the key properties of 2-(2,5-difluoro-3-methoxyphenyl)propan-1-amine?
2-(2,5-difluoro-3-methoxyphenyl)propan-1-amine has a molecular weight of 201.22 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-3-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 117290018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).