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

C10H13BrFN — CID 70699698

IUPACN-[(3-bromo-2-fluorophenyl)methyl]propan-2-amine
SMILESCC(C)NCc1cccc(Br)c1F
InChIInChI=1S/C10H13BrFN/c1-7(2)13-6-8-4-3-5-9(11)10(8)12/h3-5,7,13H,6H2,1-2H3
InChIKeySDJXPLGJENBBML-UHFFFAOYSA-N
MW246.12 g/mol
LogP3.09
Rot. Bonds3

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

N-[(3-bromo-2-fluorophenyl)methyl]propan-2-amine (PubChem CID 70699698) has the molecular formula C10H13BrFN and a molecular weight of 246.12 g/mol. Its IUPAC name is N-[(3-bromo-2-fluorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-bromo-2-fluorophenyl)methyl]propan-2-amine
PubChem CID70699698
Molecular FormulaC10H13BrFN
Molecular Weight246.12 g/mol
Exact Mass245.02
IUPAC NameN-[(3-bromo-2-fluorophenyl)methyl]propan-2-amine
SMILESCC(C)NCc1cccc(Br)c1F
InChIInChI=1S/C10H13BrFN/c1-7(2)13-6-8-4-3-5-9(11)10(8)12/h3-5,7,13H,6H2,1-2H3
InChIKeySDJXPLGJENBBML-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.12
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(3-bromo-2-fluorophenyl)phenyl]methyl]propan-2-amine
CID 106646431
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
2-N-[(3-bromo-2-fluorophenyl)methyl]-3-methylbutane-1,2-diamine
CID 106345422
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
2-N-[(3-bromo-2-fluorophenyl)methyl]-1-N-cyclopropylpropane-1,2-diamine
CID 114019822
3-(3-bromo-2-fluorophenyl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 106647005
N-[[4-(3-bromo-2-fluorophenyl)phenyl]methyl]propan-2-amine
CID 106646381
1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine
CID 84737397
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol
CID 95757294
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine
CID 130682344
N-[[3-bromo-2-(3-fluoropropoxy)phenyl]methyl]propan-2-amine
CID 81105855
(1R)-1-(2-bromophenyl)-N-[(3-chloro-2-fluorophenyl)methyl]ethanamine
CID 104930257

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-fluorophenyl)methyl]propan-2-amine?
The IUPAC name of N-[(3-bromo-2-fluorophenyl)methyl]propan-2-amine (CID 70699698) is N-[(3-bromo-2-fluorophenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-bromo-2-fluorophenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-bromo-2-fluorophenyl)methyl]propan-2-amine is CC(C)NCc1cccc(Br)c1F.
What is the InChIKey of N-[(3-bromo-2-fluorophenyl)methyl]propan-2-amine?
The InChIKey is SDJXPLGJENBBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFN/c1-7(2)13-6-8-4-3-5-9(11)10(8)12/h3-5,7,13H,6H2,1-2H3.
What are the key properties of N-[(3-bromo-2-fluorophenyl)methyl]propan-2-amine?
N-[(3-bromo-2-fluorophenyl)methyl]propan-2-amine has a molecular weight of 246.12 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-fluorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 70699698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).