1-(3-bromo-4-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine

C17H17BrFN — CID 79747261

IUPAC1-(3-bromo-4-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
SMILESCNC(c1ccc(F)c(Br)c1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H17BrFN/c1-20-16(12-7-8-15(19)14(18)11-12)17(9-10-17)13-5-3-2-4-6-13/h2-8,11,16,20H,9-10H2,1H3
InChIKeyWHEFYSDTFMYXON-UHFFFAOYSA-N
MW334.23 g/mol
LogP4.58
Rot. Bonds4

About 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine

1-(3-bromo-4-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine (PubChem CID 79747261) has the molecular formula C17H17BrFN and a molecular weight of 334.23 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
PubChem CID79747261
Molecular FormulaC17H17BrFN
Molecular Weight334.23 g/mol
Exact Mass333.05
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
SMILESCNC(c1ccc(F)c(Br)c1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H17BrFN/c1-20-16(12-7-8-15(19)14(18)11-12)17(9-10-17)13-5-3-2-4-6-13/h2-8,11,16,20H,9-10H2,1H3
InChIKeyWHEFYSDTFMYXON-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-[bromo-(1-phenylcyclopropyl)methyl]-1-fluorobenzene
CID 79742516
1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 82803625
1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 62881063
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106827094
N-methyl-1-(3-methylphenyl)-1-(1-phenylcyclopropyl)methanamine
CID 63080920
4-[bromo-(1-phenylcyclopropyl)methyl]-1,2-difluorobenzene
CID 63439725
4-[bromo-(1-phenylcyclopropyl)methyl]-1-fluoro-2-methylbenzene
CID 79746419
N-methyl-1-(3-methylphenyl)-1-(1-phenylcyclopentyl)methanamine
CID 63417580
1-(4-bromothiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 79596313
N-[(3-fluoro-4-methylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 107128711
1-(3-bromo-4-fluorophenyl)-1-(2-bromophenyl)-N-methylmethanamine
CID 79746439
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylethanamine
CID 43755957

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine (CID 79747261) is 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine is CNC(c1ccc(F)c(Br)c1)C1(c2ccccc2)CC1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine?
The InChIKey is WHEFYSDTFMYXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN/c1-20-16(12-7-8-15(19)14(18)11-12)17(9-10-17)13-5-3-2-4-6-13/h2-8,11,16,20H,9-10H2,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine?
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine has a molecular weight of 334.23 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine is sourced from PubChem (CID 79747261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).