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

C11H15ClFN — CID 117307547

IUPAC3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-1-amine
SMILESCc1cc(Cl)c(F)c(CCCN)c1C
InChIInChI=1S/C11H15ClFN/c1-7-6-10(12)11(13)9(8(7)2)4-3-5-14/h6H,3-5,14H2,1-2H3
InChIKeyAOEUOLDSKUEIMI-UHFFFAOYSA-N
MW215.70 g/mol
LogP2.99
Rot. Bonds3

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

3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-1-amine (PubChem CID 117307547) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-1-amine
PubChem CID117307547
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-1-amine
SMILESCc1cc(Cl)c(F)c(CCCN)c1C
InChIInChI=1S/C11H15ClFN/c1-7-6-10(12)11(13)9(8(7)2)4-3-5-14/h6H,3-5,14H2,1-2H3
InChIKeyAOEUOLDSKUEIMI-UHFFFAOYSA-N
XLogP2.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propanal
CID 117305933
2-(2-fluoro-3,5,6-trimethylphenyl)ethanamine
CID 84768579
4-(3-chloro-2,5-difluoro-6-methoxyphenyl)butan-1-amine
CID 117377898
3-(3,5-difluoro-2,6-dimethylphenyl)propan-1-amine
CID 84775331
4-(2,3,5,6-tetramethylphenyl)butan-1-amine
CID 65300958
3-(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)propan-1-amine
CID 117335626
3-(3,5-difluoro-4-methylphenyl)propan-1-amine
CID 117280226
6-(2,3,5,6-tetramethylphenyl)hexan-1-amine
CID 65300906
3-(5-chloro-2-fluoro-3-methylphenyl)propan-1-amine
CID 84776580
3-(4-chloro-3-fluoro-2-methylphenyl)propan-1-amine
CID 84776584
2-(3-chloro-2,5,6-trifluorophenyl)ethanamine
CID 117299579
3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361457

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-1-amine?
The IUPAC name of 3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-1-amine (CID 117307547) is 3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-1-amine is Cc1cc(Cl)c(F)c(CCCN)c1C.
What is the InChIKey of 3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-1-amine?
The InChIKey is AOEUOLDSKUEIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-7-6-10(12)11(13)9(8(7)2)4-3-5-14/h6H,3-5,14H2,1-2H3.
What are the key properties of 3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-1-amine?
3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-1-amine has a molecular weight of 215.70 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 117307547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).