2-[(2-bromophenyl)methyl]-3,3-difluoro-2-methylpropan-1-amine

C11H14BrF2N — CID 84730326

IUPAC2-[(2-bromophenyl)methyl]-3,3-difluoro-2-methylpropan-1-amine
SMILESCC(CN)(Cc1ccccc1Br)C(F)F
InChIInChI=1S/C11H14BrF2N/c1-11(7-15,10(13)14)6-8-4-2-3-5-9(8)12/h2-5,10H,6-7,15H2,1H3
InChIKeyATHXGQKYGBRYKD-UHFFFAOYSA-N
MW278.14 g/mol
LogP3.22
Rot. Bonds4

About 2-[(2-bromophenyl)methyl]-3,3-difluoro-2-methylpropan-1-amine

2-[(2-bromophenyl)methyl]-3,3-difluoro-2-methylpropan-1-amine (PubChem CID 84730326) has the molecular formula C11H14BrF2N and a molecular weight of 278.14 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-3,3-difluoro-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-3,3-difluoro-2-methylpropan-1-amine
PubChem CID84730326
Molecular FormulaC11H14BrF2N
Molecular Weight278.14 g/mol
Exact Mass277.03
IUPAC Name2-[(2-bromophenyl)methyl]-3,3-difluoro-2-methylpropan-1-amine
SMILESCC(CN)(Cc1ccccc1Br)C(F)F
InChIInChI=1S/C11H14BrF2N/c1-11(7-15,10(13)14)6-8-4-2-3-5-9(8)12/h2-5,10H,6-7,15H2,1H3
InChIKeyATHXGQKYGBRYKD-UHFFFAOYSA-N
XLogP3.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-3,3-difluoro-2-methylpropan-1-amine
CID 84721110
1-bromo-2-(2,2-difluoropropyl)benzene
CID 84698254
2-[(2-bromophenyl)methyl]-2-fluoropentan-1-amine
CID 112567710
[1-(2-bromophenyl)-2-methylpropan-2-yl]azanium
CID 156884808
1-bromo-2-(3-bromo-2,2-dimethylpropyl)benzene
CID 66049057
1,2-bis(2-bromophenyl)propan-2-amine
CID 54919156
2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 83160097
1-(2-bromophenyl)-3,3-difluorobutan-2-amine
CID 84711182
3-[2-(aminomethyl)-3,3-difluoro-2-methylpropyl]phenol
CID 84723725
1-(2-bromophenyl)-2-phenylpropan-2-ol
CID 60798344
2-amino-3-(2-bromophenyl)-2-methylpropanoic acid
CID 53401931
2-[(2-bromophenyl)methyl]-3,3-difluoropropan-1-amine
CID 84729687

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-3,3-difluoro-2-methylpropan-1-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-3,3-difluoro-2-methylpropan-1-amine (CID 84730326) is 2-[(2-bromophenyl)methyl]-3,3-difluoro-2-methylpropan-1-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-3,3-difluoro-2-methylpropan-1-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-3,3-difluoro-2-methylpropan-1-amine is CC(CN)(Cc1ccccc1Br)C(F)F.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-3,3-difluoro-2-methylpropan-1-amine?
The InChIKey is ATHXGQKYGBRYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2N/c1-11(7-15,10(13)14)6-8-4-2-3-5-9(8)12/h2-5,10H,6-7,15H2,1H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-3,3-difluoro-2-methylpropan-1-amine?
2-[(2-bromophenyl)methyl]-3,3-difluoro-2-methylpropan-1-amine has a molecular weight of 278.14 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-3,3-difluoro-2-methylpropan-1-amine is sourced from PubChem (CID 84730326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).