N-[[3-bromo-5-[(3-fluorophenyl)methyl]-4-methylphenyl]methyl]cyclopropanamine

C18H19BrFN — CID 58170925

IUPACN-[[3-bromo-5-[(3-fluorophenyl)methyl]-4-methylphenyl]methyl]cyclopropanamine
SMILESCc1c(Br)cc(CNC2CC2)cc1Cc1cccc(F)c1
InChIInChI=1S/C18H19BrFN/c1-12-15(7-13-3-2-4-16(20)9-13)8-14(10-18(12)19)11-21-17-5-6-17/h2-4,8-10,17,21H,5-7,11H2,1H3
InChIKeyANSKNOOGCUUCEI-UHFFFAOYSA-N
MW348.26 g/mol
LogP4.74
Rot. Bonds5

About N-[[3-bromo-5-[(3-fluorophenyl)methyl]-4-methylphenyl]methyl]cyclopropanamine

N-[[3-bromo-5-[(3-fluorophenyl)methyl]-4-methylphenyl]methyl]cyclopropanamine (PubChem CID 58170925) has the molecular formula C18H19BrFN and a molecular weight of 348.26 g/mol. Its IUPAC name is N-[[3-bromo-5-[(3-fluorophenyl)methyl]-4-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-bromo-5-[(3-fluorophenyl)methyl]-4-methylphenyl]methyl]cyclopropanamine
PubChem CID58170925
Molecular FormulaC18H19BrFN
Molecular Weight348.26 g/mol
Exact Mass347.07
IUPAC NameN-[[3-bromo-5-[(3-fluorophenyl)methyl]-4-methylphenyl]methyl]cyclopropanamine
SMILESCc1c(Br)cc(CNC2CC2)cc1Cc1cccc(F)c1
InChIInChI=1S/C18H19BrFN/c1-12-15(7-13-3-2-4-16(20)9-13)8-14(10-18(12)19)11-21-17-5-6-17/h2-4,8-10,17,21H,5-7,11H2,1H3
InChIKeyANSKNOOGCUUCEI-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,2R)-N-[(4-bromo-2-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine
CID 145981420
trans-(1S,2R)-N-[(3-bromophenyl)methyl]-2-phenylcyclopropan-1-amine
CID 145990550
trans-(1S,2R)-N-[(2-bromophenyl)methyl]-2-phenylcyclopropan-1-amine
CID 145994210
5-Bromo-6-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
CID 165732283
(1R,3R)-5-bromo-1,3-bis(2-methylprop-2-en-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 6541543
1-[2-[1-[4-bromo-3-(trifluoromethyl)phenyl]ethyl]phenyl]-N-methylethanamine
CID 12149040
1-(2,4-difluorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 22483185
1-(2,4-difluorophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine
CID 22483254
N-[(3-bromo-4-fluorophenyl)methyl]cyclohexanamine
CID 28424029
[3-Bromo-5-[(cyclopropylamino)methyl]-2-methylphenyl]-(3-fluorophenyl)methanone
CID 58171005
5-bromo-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 58613958
N-(2-Bromo-4-methyl-5-(trifluoromethyl)benzyl)(3,5-bis(trifluoromethyl)phenyl)methanamine
CID 58968728

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-5-[(3-fluorophenyl)methyl]-4-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-bromo-5-[(3-fluorophenyl)methyl]-4-methylphenyl]methyl]cyclopropanamine (CID 58170925) is N-[[3-bromo-5-[(3-fluorophenyl)methyl]-4-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-bromo-5-[(3-fluorophenyl)methyl]-4-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-bromo-5-[(3-fluorophenyl)methyl]-4-methylphenyl]methyl]cyclopropanamine is Cc1c(Br)cc(CNC2CC2)cc1Cc1cccc(F)c1.
What is the InChIKey of N-[[3-bromo-5-[(3-fluorophenyl)methyl]-4-methylphenyl]methyl]cyclopropanamine?
The InChIKey is ANSKNOOGCUUCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN/c1-12-15(7-13-3-2-4-16(20)9-13)8-14(10-18(12)19)11-21-17-5-6-17/h2-4,8-10,17,21H,5-7,11H2,1H3.
What are the key properties of N-[[3-bromo-5-[(3-fluorophenyl)methyl]-4-methylphenyl]methyl]cyclopropanamine?
N-[[3-bromo-5-[(3-fluorophenyl)methyl]-4-methylphenyl]methyl]cyclopropanamine has a molecular weight of 348.26 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-5-[(3-fluorophenyl)methyl]-4-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 58170925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).