2-(2,4-dichloro-5-fluorophenyl)-3-methylbutan-2-amine

C11H14Cl2FN — CID 60929261

IUPAC2-(2,4-dichloro-5-fluorophenyl)-3-methylbutan-2-amine
SMILESCC(C)C(C)(N)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2FN/c1-6(2)11(3,15)7-4-10(14)9(13)5-8(7)12/h4-6H,15H2,1-3H3
InChIKeyFYHVQFRMROJROR-UHFFFAOYSA-N
MW250.14 g/mol
LogP3.96
Rot. Bonds2

About 2-(2,4-dichloro-5-fluorophenyl)-3-methylbutan-2-amine

2-(2,4-dichloro-5-fluorophenyl)-3-methylbutan-2-amine (PubChem CID 60929261) has the molecular formula C11H14Cl2FN and a molecular weight of 250.14 g/mol. Its IUPAC name is 2-(2,4-dichloro-5-fluorophenyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name2-(2,4-dichloro-5-fluorophenyl)-3-methylbutan-2-amine
PubChem CID60929261
Molecular FormulaC11H14Cl2FN
Molecular Weight250.14 g/mol
Exact Mass249.05
IUPAC Name2-(2,4-dichloro-5-fluorophenyl)-3-methylbutan-2-amine
SMILESCC(C)C(C)(N)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2FN/c1-6(2)11(3,15)7-4-10(14)9(13)5-8(7)12/h4-6H,15H2,1-3H3
InChIKeyFYHVQFRMROJROR-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-Dichlorophenyl)Ethylamine
CID 2771858
1-(2,4-Dichloro-5-fluorophenyl)ethan-1-amine
CID 3833141
2-(3,5-Dichlorophenyl)propan-2-amine
CID 11195052
(1R)-1-(2,6-dichloro-3-fluorophenyl)ethan-1-amine
CID 25324458
1-(4-Chlorophenyl)-1-methylethylamine
CID 11030256
1-(2-Chlorophenyl)cyclopropan-1-amine hydrochloride
CID 24206582
1-(4-Chlorophenyl)cyclopropanamine hydrochloride
CID 24206584
(1R)-1-(2,4-dichlorophenyl)ethan-1-amine hydrochloride
CID 44140309
2-(4-Chlorophenyl)propan-2-amine hydrochloride
CID 45158337
1-(4-Chlorophenyl)cyclopentan-1-amine hydrochloride
CID 47002947
(1S)-1-(2,4-dichlorophenyl)ethan-1-amine hydrochloride
CID 51358469
1-(2-Chlorophenyl)cyclobutan-1-amine hydrochloride
CID 53256946

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-3-methylbutan-2-amine?
The IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-3-methylbutan-2-amine (CID 60929261) is 2-(2,4-dichloro-5-fluorophenyl)-3-methylbutan-2-amine.
What is the SMILES notation for 2-(2,4-dichloro-5-fluorophenyl)-3-methylbutan-2-amine?
The canonical SMILES for 2-(2,4-dichloro-5-fluorophenyl)-3-methylbutan-2-amine is CC(C)C(C)(N)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichloro-5-fluorophenyl)-3-methylbutan-2-amine?
The InChIKey is FYHVQFRMROJROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2FN/c1-6(2)11(3,15)7-4-10(14)9(13)5-8(7)12/h4-6H,15H2,1-3H3.
What are the key properties of 2-(2,4-dichloro-5-fluorophenyl)-3-methylbutan-2-amine?
2-(2,4-dichloro-5-fluorophenyl)-3-methylbutan-2-amine has a molecular weight of 250.14 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-5-fluorophenyl)-3-methylbutan-2-amine is sourced from PubChem (CID 60929261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).