2-(2,5-dichlorophenyl)-2-fluoro-3-methylbutan-1-amine

C11H14Cl2FN — CID 112566767

IUPAC2-(2,5-dichlorophenyl)-2-fluoro-3-methylbutan-1-amine
SMILESCC(C)C(F)(CN)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl2FN/c1-7(2)11(14,6-15)9-5-8(12)3-4-10(9)13/h3-5,7H,6,15H2,1-2H3
InChIKeyDTRMLLUBYXRSQU-UHFFFAOYSA-N
MW250.14 g/mol
LogP3.77
Rot. Bonds3

About 2-(2,5-dichlorophenyl)-2-fluoro-3-methylbutan-1-amine

2-(2,5-dichlorophenyl)-2-fluoro-3-methylbutan-1-amine (PubChem CID 112566767) has the molecular formula C11H14Cl2FN and a molecular weight of 250.14 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-2-fluoro-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-2-fluoro-3-methylbutan-1-amine
PubChem CID112566767
Molecular FormulaC11H14Cl2FN
Molecular Weight250.14 g/mol
Exact Mass249.05
IUPAC Name2-(2,5-dichlorophenyl)-2-fluoro-3-methylbutan-1-amine
SMILESCC(C)C(F)(CN)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl2FN/c1-7(2)11(14,6-15)9-5-8(12)3-4-10(9)13/h3-5,7H,6,15H2,1-2H3
InChIKeyDTRMLLUBYXRSQU-UHFFFAOYSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-difluorophenyl)-2-fluoro-3-methylbutan-1-amine
CID 112566903
2-fluoro-2-(2-fluorophenyl)-3-methylbutan-1-amine
CID 112566875
3-(2,5-dichlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine
CID 132588763
(2R)-2-(2,4-dichlorophenyl)-2-fluoropropan-1-amine
CID 124567259
3-(2,5-dichlorophenyl)pentan-3-amine
CID 62791781
2-(2,3-difluoro-4-methylphenyl)-2-fluoro-3-methylbutan-1-amine
CID 107514807
(2S)-2-(2,5-dichlorophenyl)butan-2-amine
CID 130054976
4-amino-3-(2,5-dichlorophenyl)-3-methylpentan-1-ol
CID 66091467
2-(2,5-dichlorophenyl)-2-methyl-3-phenylpropan-1-amine
CID 117048216
2-(3,4-dimethylphenyl)-2-fluoro-3-methylbutan-1-amine
CID 112567003
3-(2,5-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830945
(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine
CID 171227133

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-2-fluoro-3-methylbutan-1-amine?
The IUPAC name of 2-(2,5-dichlorophenyl)-2-fluoro-3-methylbutan-1-amine (CID 112566767) is 2-(2,5-dichlorophenyl)-2-fluoro-3-methylbutan-1-amine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-2-fluoro-3-methylbutan-1-amine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-2-fluoro-3-methylbutan-1-amine is CC(C)C(F)(CN)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)-2-fluoro-3-methylbutan-1-amine?
The InChIKey is DTRMLLUBYXRSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2FN/c1-7(2)11(14,6-15)9-5-8(12)3-4-10(9)13/h3-5,7H,6,15H2,1-2H3.
What are the key properties of 2-(2,5-dichlorophenyl)-2-fluoro-3-methylbutan-1-amine?
2-(2,5-dichlorophenyl)-2-fluoro-3-methylbutan-1-amine has a molecular weight of 250.14 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-2-fluoro-3-methylbutan-1-amine is sourced from PubChem (CID 112566767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).