N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropyl-1-phenylmethanamine

C17H17BrFN — CID 43233418

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropyl-1-phenylmethanamine
SMILESFc1ccc(Br)cc1CNC(c1ccccc1)C1CC1
InChIInChI=1S/C17H17BrFN/c18-15-8-9-16(19)14(10-15)11-20-17(13-6-7-13)12-4-2-1-3-5-12/h1-5,8-10,13,17,20H,6-7,11H2
InChIKeyGYTGYRLVGPYVTF-UHFFFAOYSA-N
MW334.23 g/mol
LogP4.83
Rot. Bonds5

About N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropyl-1-phenylmethanamine

N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropyl-1-phenylmethanamine (PubChem CID 43233418) has the molecular formula C17H17BrFN and a molecular weight of 334.23 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropyl-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropyl-1-phenylmethanamine
PubChem CID43233418
Molecular FormulaC17H17BrFN
Molecular Weight334.23 g/mol
Exact Mass333.05
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropyl-1-phenylmethanamine
SMILESFc1ccc(Br)cc1CNC(c1ccccc1)C1CC1
InChIInChI=1S/C17H17BrFN/c18-15-8-9-16(19)14(10-15)11-20-17(13-6-7-13)12-4-2-1-3-5-12/h1-5,8-10,13,17,20H,6-7,11H2
InChIKeyGYTGYRLVGPYVTF-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine
CID 60658432
1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]-1-phenylmethanamine
CID 103943652
N-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-1-phenylbutan-1-amine
CID 43221916
N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 63987847
N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine
CID 61015900
2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine
CID 62600408
N'-[(5-bromo-2-fluorophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43081308
N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride
CID 47023745
N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide
CID 61298690
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994361
2-chloro-6-[[[cyclopropyl(phenyl)methyl]amino]methyl]phenol
CID 115904610
4-bromo-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422798

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropyl-1-phenylmethanamine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropyl-1-phenylmethanamine (CID 43233418) is N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropyl-1-phenylmethanamine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropyl-1-phenylmethanamine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropyl-1-phenylmethanamine is Fc1ccc(Br)cc1CNC(c1ccccc1)C1CC1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropyl-1-phenylmethanamine?
The InChIKey is GYTGYRLVGPYVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN/c18-15-8-9-16(19)14(10-15)11-20-17(13-6-7-13)12-4-2-1-3-5-12/h1-5,8-10,13,17,20H,6-7,11H2.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropyl-1-phenylmethanamine?
N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropyl-1-phenylmethanamine has a molecular weight of 334.23 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropyl-1-phenylmethanamine is sourced from PubChem (CID 43233418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).