1-(4-bromo-3,5-difluorophenyl)-2-methylpropan-2-amine

C10H12BrF2N — CID 84807348

IUPAC1-(4-bromo-3,5-difluorophenyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cc(F)c(Br)c(F)c1
InChIInChI=1S/C10H12BrF2N/c1-10(2,14)5-6-3-7(12)9(11)8(13)4-6/h3-4H,5,14H2,1-2H3
InChIKeyUWKVZOJRYOSPTP-UHFFFAOYSA-N
MW264.11 g/mol
LogP3.01
Rot. Bonds2

About 1-(4-bromo-3,5-difluorophenyl)-2-methylpropan-2-amine

1-(4-bromo-3,5-difluorophenyl)-2-methylpropan-2-amine (PubChem CID 84807348) has the molecular formula C10H12BrF2N and a molecular weight of 264.11 g/mol. Its IUPAC name is 1-(4-bromo-3,5-difluorophenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-3,5-difluorophenyl)-2-methylpropan-2-amine
PubChem CID84807348
Molecular FormulaC10H12BrF2N
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Name1-(4-bromo-3,5-difluorophenyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cc(F)c(Br)c(F)c1
InChIInChI=1S/C10H12BrF2N/c1-10(2,14)5-6-3-7(12)9(11)8(13)4-6/h3-4H,5,14H2,1-2H3
InChIKeyUWKVZOJRYOSPTP-UHFFFAOYSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 53.01
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

1-(3-bromo-2,4,6-trifluorophenyl)-2-methylpropan-2-amine
CID 117452947
1-(3,5-difluorophenyl)-2-methylpropan-2-amine
CID 22063501
1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-amine
CID 23109614
4-(2-amino-2-methylpropyl)-3-bromo-5-fluorobenzene-1,2-diol
CID 117445509
1-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine
CID 117335601
6-(2-amino-2-methylpropyl)-2-bromo-3,4-difluorophenol
CID 84811709
1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-amine
CID 62622009
1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine
CID 117323267
1-(3-bromo-4,5-dimethylphenyl)-2-methylpropan-2-amine
CID 84805283
1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 22597146
3-(4-bromo-3,5-difluorophenyl)propan-1-amine
CID 84803840
1-(5-bromo-3-pyridinyl)-2-methylpropan-2-amine
CID 104802807

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-difluorophenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(4-bromo-3,5-difluorophenyl)-2-methylpropan-2-amine (CID 84807348) is 1-(4-bromo-3,5-difluorophenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(4-bromo-3,5-difluorophenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(4-bromo-3,5-difluorophenyl)-2-methylpropan-2-amine is CC(C)(N)Cc1cc(F)c(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3,5-difluorophenyl)-2-methylpropan-2-amine?
The InChIKey is UWKVZOJRYOSPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2N/c1-10(2,14)5-6-3-7(12)9(11)8(13)4-6/h3-4H,5,14H2,1-2H3.
What are the key properties of 1-(4-bromo-3,5-difluorophenyl)-2-methylpropan-2-amine?
1-(4-bromo-3,5-difluorophenyl)-2-methylpropan-2-amine has a molecular weight of 264.11 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-difluorophenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 84807348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).