1-(5-bromo-2-methylphenyl)-1,1-difluoropropan-2-amine

C10H12BrF2N — CID 116839328

IUPAC1-(5-bromo-2-methylphenyl)-1,1-difluoropropan-2-amine
SMILESCc1ccc(Br)cc1C(F)(F)C(C)N
InChIInChI=1S/C10H12BrF2N/c1-6-3-4-8(11)5-9(6)10(12,13)7(2)14/h3-5,7H,14H2,1-2H3
InChIKeyXEGIBVDDPAZHFY-UHFFFAOYSA-N
MW264.11 g/mol
LogP3.20
Rot. Bonds2

About 1-(5-bromo-2-methylphenyl)-1,1-difluoropropan-2-amine

1-(5-bromo-2-methylphenyl)-1,1-difluoropropan-2-amine (PubChem CID 116839328) has the molecular formula C10H12BrF2N and a molecular weight of 264.11 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-1,1-difluoropropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-1,1-difluoropropan-2-amine
PubChem CID116839328
Molecular FormulaC10H12BrF2N
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Name1-(5-bromo-2-methylphenyl)-1,1-difluoropropan-2-amine
SMILESCc1ccc(Br)cc1C(F)(F)C(C)N
InChIInChI=1S/C10H12BrF2N/c1-6-3-4-8(11)5-9(6)10(12,13)7(2)14/h3-5,7H,14H2,1-2H3
InChIKeyXEGIBVDDPAZHFY-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-1,1-difluoropropan-2-amine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-1,1-difluoropropan-2-amine (CID 116839328) is 1-(5-bromo-2-methylphenyl)-1,1-difluoropropan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-1,1-difluoropropan-2-amine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-1,1-difluoropropan-2-amine is Cc1ccc(Br)cc1C(F)(F)C(C)N.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-1,1-difluoropropan-2-amine?
The InChIKey is XEGIBVDDPAZHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2N/c1-6-3-4-8(11)5-9(6)10(12,13)7(2)14/h3-5,7H,14H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-1,1-difluoropropan-2-amine?
1-(5-bromo-2-methylphenyl)-1,1-difluoropropan-2-amine has a molecular weight of 264.11 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-1,1-difluoropropan-2-amine is sourced from PubChem (CID 116839328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).