3-(2-bromo-4-fluorophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine

C14H19BrFN — CID 83148242

IUPAC3-(2-bromo-4-fluorophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(Cc1ccc(F)cc1Br)C1CC1
InChIInChI=1S/C14H19BrFN/c1-14(9-17-2,11-4-5-11)8-10-3-6-12(16)7-13(10)15/h3,6-7,11,17H,4-5,8-9H2,1-2H3
InChIKeyJOCAWYAIIBIHST-UHFFFAOYSA-N
MW300.21 g/mol
LogP3.77
Rot. Bonds5

About 3-(2-bromo-4-fluorophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine

3-(2-bromo-4-fluorophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine (PubChem CID 83148242) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is 3-(2-bromo-4-fluorophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-bromo-4-fluorophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
PubChem CID83148242
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC Name3-(2-bromo-4-fluorophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(Cc1ccc(F)cc1Br)C1CC1
InChIInChI=1S/C14H19BrFN/c1-14(9-17-2,11-4-5-11)8-10-3-6-12(16)7-13(10)15/h3,6-7,11,17H,4-5,8-9H2,1-2H3
InChIKeyJOCAWYAIIBIHST-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluorobenzene
CID 83149908
1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2,4-difluorobenzene
CID 83150796
2-cyclopropyl-3-(2,5-difluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 83159508
3-(4-bromophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
CID 83149125
3-(3-bromothiophen-2-yl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
CID 83148633
1-(3-chloro-2-cyclopropyl-2-methylpropyl)-4-fluoro-2-methylbenzene
CID 114349943
1-[(2-bromo-4-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63407519
2-bromo-1-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-4-fluorobenzene
CID 112571067
2-cyclopropyl-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine
CID 83149361
2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene
CID 165123188
3-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine
CID 83148247
[1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105202997

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-fluorophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine?
The IUPAC name of 3-(2-bromo-4-fluorophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine (CID 83148242) is 3-(2-bromo-4-fluorophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-bromo-4-fluorophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-bromo-4-fluorophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine is CNCC(C)(Cc1ccc(F)cc1Br)C1CC1.
What is the InChIKey of 3-(2-bromo-4-fluorophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine?
The InChIKey is JOCAWYAIIBIHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-14(9-17-2,11-4-5-11)8-10-3-6-12(16)7-13(10)15/h3,6-7,11,17H,4-5,8-9H2,1-2H3.
What are the key properties of 3-(2-bromo-4-fluorophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine?
3-(2-bromo-4-fluorophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine has a molecular weight of 300.21 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-fluorophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 83148242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).