N-[(4-bromo-3-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine

C13H17BrFN — CID 103773729

IUPACN-[(4-bromo-3-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine
SMILESCC(C)(NCc1ccc(Br)c(F)c1)C1CC1
InChIInChI=1S/C13H17BrFN/c1-13(2,10-4-5-10)16-8-9-3-6-11(14)12(15)7-9/h3,6-7,10,16H,4-5,8H2,1-2H3
InChIKeyDOQOGLKRMZTXJS-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.87
Rot. Bonds4

About N-[(4-bromo-3-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine

N-[(4-bromo-3-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine (PubChem CID 103773729) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine
PubChem CID103773729
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC NameN-[(4-bromo-3-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine
SMILESCC(C)(NCc1ccc(Br)c(F)c1)C1CC1
InChIInChI=1S/C13H17BrFN/c1-13(2,10-4-5-10)16-8-9-3-6-11(14)12(15)7-9/h3,6-7,10,16H,4-5,8H2,1-2H3
InChIKeyDOQOGLKRMZTXJS-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]propan-2-amine
CID 103700181
2-cyclopropyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 103700221
N-[(4-bromo-3-fluorophenyl)methyl]-2-methylbut-3-yn-2-amine
CID 81436932
3-[(4-bromo-3-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 115702691
2-cyclopropyl-N-[(4-methylphenyl)methyl]propan-2-amine
CID 103700096
N-[(5-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine
CID 103845100
2-chloro-4-[(2-cyclopropylpropan-2-ylamino)methyl]phenol
CID 103700269
2-[(4-bromo-3-fluorophenyl)methylamino]-2-ethylbutan-1-ol
CID 79672182
N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline
CID 81436699
2-cyclopropyl-N-[(3,5-dimethylphenyl)methyl]propan-2-amine
CID 103700185
N-[(4-bromo-3-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115702697
N-[(4-bromo-3-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 81436842

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine (CID 103773729) is N-[(4-bromo-3-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine is CC(C)(NCc1ccc(Br)c(F)c1)C1CC1.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine?
The InChIKey is DOQOGLKRMZTXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c1-13(2,10-4-5-10)16-8-9-3-6-11(14)12(15)7-9/h3,6-7,10,16H,4-5,8H2,1-2H3.
What are the key properties of N-[(4-bromo-3-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine?
N-[(4-bromo-3-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine has a molecular weight of 286.19 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine is sourced from PubChem (CID 103773729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).