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

C11H15F2N — CID 84775331

IUPAC3-(3,5-difluoro-2,6-dimethylphenyl)propan-1-amine
SMILESCc1c(F)cc(F)c(C)c1CCCN
InChIInChI=1S/C11H15F2N/c1-7-9(4-3-5-14)8(2)11(13)6-10(7)12/h6H,3-5,14H2,1-2H3
InChIKeyIRZYEBAZALSGKH-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.47
Rot. Bonds3

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

3-(3,5-difluoro-2,6-dimethylphenyl)propan-1-amine (PubChem CID 84775331) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 3-(3,5-difluoro-2,6-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,5-difluoro-2,6-dimethylphenyl)propan-1-amine
PubChem CID84775331
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name3-(3,5-difluoro-2,6-dimethylphenyl)propan-1-amine
SMILESCc1c(F)cc(F)c(C)c1CCCN
InChIInChI=1S/C11H15F2N/c1-7-9(4-3-5-14)8(2)11(13)6-10(7)12/h6H,3-5,14H2,1-2H3
InChIKeyIRZYEBAZALSGKH-UHFFFAOYSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-aminopropyl)-4-fluoro-3,6-dimethylphenol
CID 84774420
3-(3,5-difluoro-4-methylphenyl)propan-1-amine
CID 117280226
3-(2,3,4,5,6-pentamethylphenyl)propan-1-amine
CID 59138114
4-(2,3,5,6-tetramethylphenyl)butan-1-amine
CID 65300958
1-[2-(3,5-difluoro-2,6-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105483076
3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-1-amine
CID 117307547
6-(2,3,5,6-tetramethylphenyl)hexan-1-amine
CID 65300906
4-(3,5-difluoro-2-methylphenyl)butan-1-amine
CID 117288653
1-fluoro-2,4,5-trimethyl-3-propylbenzene
CID 146341300
3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine
CID 84776163
2-ethyl-4,6-difluoro-3-methylphenol
CID 134178031
(2,6-difluoro-4-methylphenyl)methanamine
CID 118595303

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoro-2,6-dimethylphenyl)propan-1-amine?
The IUPAC name of 3-(3,5-difluoro-2,6-dimethylphenyl)propan-1-amine (CID 84775331) is 3-(3,5-difluoro-2,6-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3,5-difluoro-2,6-dimethylphenyl)propan-1-amine?
The canonical SMILES for 3-(3,5-difluoro-2,6-dimethylphenyl)propan-1-amine is Cc1c(F)cc(F)c(C)c1CCCN.
What is the InChIKey of 3-(3,5-difluoro-2,6-dimethylphenyl)propan-1-amine?
The InChIKey is IRZYEBAZALSGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-7-9(4-3-5-14)8(2)11(13)6-10(7)12/h6H,3-5,14H2,1-2H3.
What are the key properties of 3-(3,5-difluoro-2,6-dimethylphenyl)propan-1-amine?
3-(3,5-difluoro-2,6-dimethylphenyl)propan-1-amine has a molecular weight of 199.24 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoro-2,6-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 84775331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).