1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylbutan-1-amine

C11H14BrClFN — CID 106762503

IUPAC1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C11H14BrClFN/c1-3-6(2)11(15)7-4-5-8(12)9(13)10(7)14/h4-6,11H,3,15H2,1-2H3
InChIKeyUOMKGFAKVMEHPE-UHFFFAOYSA-N
MW294.60 g/mol
LogP4.29
Rot. Bonds3

About 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylbutan-1-amine

1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylbutan-1-amine (PubChem CID 106762503) has the molecular formula C11H14BrClFN and a molecular weight of 294.60 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylbutan-1-amine
PubChem CID106762503
Molecular FormulaC11H14BrClFN
Molecular Weight294.60 g/mol
Exact Mass293.00
IUPAC Name1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C11H14BrClFN/c1-3-6(2)11(15)7-4-5-8(12)9(13)10(7)14/h4-6,11H,3,15H2,1-2H3
InChIKeyUOMKGFAKVMEHPE-UHFFFAOYSA-N
XLogP4.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.60
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine
CID 130797873
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-ethylbutyl]hydrazine
CID 106765455
1-(4-bromo-3-chloro-2-fluorophenyl)-4-methoxypentan-1-amine
CID 106764719
1-(4-bromo-3-chloro-2-fluorophenyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
CID 106762692
1-(2,4-dibromophenyl)-2-methylbutan-1-amine
CID 107946440
(4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine
CID 106763019
(1S)-1-(4-bromo-2-chlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171223655
(4-bromo-3-chloro-2-fluorophenyl)-(4-ethylsulfanylphenyl)methanamine
CID 106848615
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-propan-2-yloxyethyl]hydrazine
CID 106765612
(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 106764463
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-chlorophenoxy)ethanamine
CID 106764386
(4-bromo-3-chloro-2-fluorophenyl)-(3-ethylthiophen-2-yl)methanamine
CID 106764566

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylbutan-1-amine?
The IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylbutan-1-amine (CID 106762503) is 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylbutan-1-amine.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylbutan-1-amine?
The canonical SMILES for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylbutan-1-amine is CCC(C)C(N)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylbutan-1-amine?
The InChIKey is UOMKGFAKVMEHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClFN/c1-3-6(2)11(15)7-4-5-8(12)9(13)10(7)14/h4-6,11H,3,15H2,1-2H3.
What are the key properties of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylbutan-1-amine?
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylbutan-1-amine has a molecular weight of 294.60 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 106762503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).