2-(2,5-difluoro-3,6-dimethylphenyl)propan-1-amine

C11H15F2N — CID 117288685

IUPAC2-(2,5-difluoro-3,6-dimethylphenyl)propan-1-amine
SMILESCc1cc(F)c(C)c(C(C)CN)c1F
InChIInChI=1S/C11H15F2N/c1-6-4-9(12)8(3)10(11(6)13)7(2)5-14/h4,7H,5,14H2,1-3H3
InChIKeyBASLUGRSPLKEOO-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.64
Rot. Bonds2

About 2-(2,5-difluoro-3,6-dimethylphenyl)propan-1-amine

2-(2,5-difluoro-3,6-dimethylphenyl)propan-1-amine (PubChem CID 117288685) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 2-(2,5-difluoro-3,6-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,5-difluoro-3,6-dimethylphenyl)propan-1-amine
PubChem CID117288685
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name2-(2,5-difluoro-3,6-dimethylphenyl)propan-1-amine
SMILESCc1cc(F)c(C)c(C(C)CN)c1F
InChIInChI=1S/C11H15F2N/c1-6-4-9(12)8(3)10(11(6)13)7(2)5-14/h4,7H,5,14H2,1-3H3
InChIKeyBASLUGRSPLKEOO-UHFFFAOYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,5-difluoro-3,6-dimethylphenyl)butanal
CID 117302967
2-(1-aminopropan-2-yl)-6-chloro-4-fluoro-3-methylphenol
CID 117310420
2-(2-fluoro-6-methylphenyl)propan-1-amine
CID 84765270
3-(3-chloro-2,6-difluoro-5-methylphenyl)butan-1-amine
CID 117339667
3-amino-2-(2,6-difluoro-3,5-dimethylphenyl)propanoic acid
CID 84792620
2-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine
CID 84803107
2-(2-bromo-3-fluoro-6-methylphenyl)propan-1-amine
CID 117367099
3-(3-fluoro-4,5-dimethylphenyl)butan-1-amine
CID 84773685
2-(3-bromo-2,6-difluorophenyl)propan-1-amine
CID 106943854
2-(2,6-difluoro-3,5-dimethoxyphenyl)propan-1-amine
CID 117333864
2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine
CID 117375876
3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 117320871

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-3,6-dimethylphenyl)propan-1-amine?
The IUPAC name of 2-(2,5-difluoro-3,6-dimethylphenyl)propan-1-amine (CID 117288685) is 2-(2,5-difluoro-3,6-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 2-(2,5-difluoro-3,6-dimethylphenyl)propan-1-amine?
The canonical SMILES for 2-(2,5-difluoro-3,6-dimethylphenyl)propan-1-amine is Cc1cc(F)c(C)c(C(C)CN)c1F.
What is the InChIKey of 2-(2,5-difluoro-3,6-dimethylphenyl)propan-1-amine?
The InChIKey is BASLUGRSPLKEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-6-4-9(12)8(3)10(11(6)13)7(2)5-14/h4,7H,5,14H2,1-3H3.
What are the key properties of 2-(2,5-difluoro-3,6-dimethylphenyl)propan-1-amine?
2-(2,5-difluoro-3,6-dimethylphenyl)propan-1-amine has a molecular weight of 199.24 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-3,6-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 117288685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).