N-[(2-bromo-3-fluorophenyl)methyl]-N,2-dimethylpropan-2-amine

C12H17BrFN — CID 131067793

IUPACN-[(2-bromo-3-fluorophenyl)methyl]-N,2-dimethylpropan-2-amine
SMILESCN(Cc1cccc(F)c1Br)C(C)(C)C
InChIInChI=1S/C12H17BrFN/c1-12(2,3)15(4)8-9-6-5-7-10(14)11(9)13/h5-7H,8H2,1-4H3
InChIKeyNHJAFQFFDPNFIR-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.82
Rot. Bonds2

About N-[(2-bromo-3-fluorophenyl)methyl]-N,2-dimethylpropan-2-amine

N-[(2-bromo-3-fluorophenyl)methyl]-N,2-dimethylpropan-2-amine (PubChem CID 131067793) has the molecular formula C12H17BrFN and a molecular weight of 274.18 g/mol. Its IUPAC name is N-[(2-bromo-3-fluorophenyl)methyl]-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-bromo-3-fluorophenyl)methyl]-N,2-dimethylpropan-2-amine
PubChem CID131067793
Molecular FormulaC12H17BrFN
Molecular Weight274.18 g/mol
Exact Mass273.05
IUPAC NameN-[(2-bromo-3-fluorophenyl)methyl]-N,2-dimethylpropan-2-amine
SMILESCN(Cc1cccc(F)c1Br)C(C)(C)C
InChIInChI=1S/C12H17BrFN/c1-12(2,3)15(4)8-9-6-5-7-10(14)11(9)13/h5-7H,8H2,1-4H3
InChIKeyNHJAFQFFDPNFIR-UHFFFAOYSA-N
XLogP3.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[tert-butyl(methyl)amino]methyl]-6-fluorobenzonitrile
CID 134586202
1-bromo-N-[(2-bromo-3-fluorophenyl)methyl]-N-methylpropan-2-amine
CID 104554874
N'-[(2-bromo-3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
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[2-[[tert-butyl(methyl)amino]methyl]-6-fluorophenyl]methyl carbamate
CID 174983997
2-bromo-1-fluoro-3-(2-methylbutyl)benzene
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N-[(2-bromo-3-fluorophenyl)methyl]-3,3-dimethylbutan-2-amine
CID 104828121
2-(bromomethyl)-N-tert-butyl-6-fluoro-N-methylaniline
CID 130756582
1-(2-bromo-3-fluorophenyl)-N-ethyl-3,3-dimethylpentan-2-amine
CID 105020510
3-(4-aminophenyl)-1-(2-bromo-3-fluorophenyl)-3-methylbutan-2-one
CID 116598810
3-amino-1-(2-bromo-3-fluorophenyl)-4,4-dimethylpentan-2-one
CID 116611544
N,2-dimethyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 121450481
2-[(2-bromo-3-fluorophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149290

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-3-fluorophenyl)methyl]-N,2-dimethylpropan-2-amine?
The IUPAC name of N-[(2-bromo-3-fluorophenyl)methyl]-N,2-dimethylpropan-2-amine (CID 131067793) is N-[(2-bromo-3-fluorophenyl)methyl]-N,2-dimethylpropan-2-amine.
What is the SMILES notation for N-[(2-bromo-3-fluorophenyl)methyl]-N,2-dimethylpropan-2-amine?
The canonical SMILES for N-[(2-bromo-3-fluorophenyl)methyl]-N,2-dimethylpropan-2-amine is CN(Cc1cccc(F)c1Br)C(C)(C)C.
What is the InChIKey of N-[(2-bromo-3-fluorophenyl)methyl]-N,2-dimethylpropan-2-amine?
The InChIKey is NHJAFQFFDPNFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFN/c1-12(2,3)15(4)8-9-6-5-7-10(14)11(9)13/h5-7H,8H2,1-4H3.
What are the key properties of N-[(2-bromo-3-fluorophenyl)methyl]-N,2-dimethylpropan-2-amine?
N-[(2-bromo-3-fluorophenyl)methyl]-N,2-dimethylpropan-2-amine has a molecular weight of 274.18 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-3-fluorophenyl)methyl]-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 131067793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).