1-(2-bromo-3-fluorophenyl)-N-methyl-5-phenylpentan-2-amine

C18H21BrFN — CID 105172022

IUPAC1-(2-bromo-3-fluorophenyl)-N-methyl-5-phenylpentan-2-amine
SMILESCNC(CCCc1ccccc1)Cc1cccc(F)c1Br
InChIInChI=1S/C18H21BrFN/c1-21-16(11-5-9-14-7-3-2-4-8-14)13-15-10-6-12-17(20)18(15)19/h2-4,6-8,10,12,16,21H,5,9,11,13H2,1H3
InChIKeyMGYBRZGIFCUQTA-UHFFFAOYSA-N
MW350.27 g/mol
LogP4.74
Rot. Bonds7

About 1-(2-bromo-3-fluorophenyl)-N-methyl-5-phenylpentan-2-amine

1-(2-bromo-3-fluorophenyl)-N-methyl-5-phenylpentan-2-amine (PubChem CID 105172022) has the molecular formula C18H21BrFN and a molecular weight of 350.27 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-N-methyl-5-phenylpentan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-N-methyl-5-phenylpentan-2-amine
PubChem CID105172022
Molecular FormulaC18H21BrFN
Molecular Weight350.27 g/mol
Exact Mass349.08
IUPAC Name1-(2-bromo-3-fluorophenyl)-N-methyl-5-phenylpentan-2-amine
SMILESCNC(CCCc1ccccc1)Cc1cccc(F)c1Br
InChIInChI=1S/C18H21BrFN/c1-21-16(11-5-9-14-7-3-2-4-8-14)13-15-10-6-12-17(20)18(15)19/h2-4,6-8,10,12,16,21H,5,9,11,13H2,1H3
InChIKeyMGYBRZGIFCUQTA-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-fluorophenyl)-N-methyl-5-phenylpentan-2-amine
CID 105131693
1-(4-bromo-2-fluorophenyl)-N-methyl-5-phenylpentan-2-amine
CID 105137092
1-(2-bromo-3-fluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105172143
1-(2-bromo-3-fluorophenyl)-N-methylpent-4-en-2-amine
CID 116660523
1-(2,4-difluorophenyl)-N-methyl-4-phenylbutan-2-amine
CID 62196246
[1-(2-bromo-3-fluorophenyl)-4-(4-methylphenyl)butan-2-yl]hydrazine
CID 105327036
1-(2-bromo-3-fluorophenyl)-N,4,5,5-tetramethylhexan-2-amine
CID 105020658
N-methyl-1,4-diphenylbutan-2-amine
CID 57128066
2-[(2-fluorophenyl)methyl]-N-methyl-5-phenylpentan-1-amine
CID 62514753
1-(2-bromo-3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 105020405
[1-(2-bromophenyl)-5-phenylpentan-2-yl]hydrazine
CID 105214828
N-methyl-1,5-diphenylpentan-3-amine
CID 10586995

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-N-methyl-5-phenylpentan-2-amine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-N-methyl-5-phenylpentan-2-amine (CID 105172022) is 1-(2-bromo-3-fluorophenyl)-N-methyl-5-phenylpentan-2-amine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-N-methyl-5-phenylpentan-2-amine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-N-methyl-5-phenylpentan-2-amine is CNC(CCCc1ccccc1)Cc1cccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-N-methyl-5-phenylpentan-2-amine?
The InChIKey is MGYBRZGIFCUQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrFN/c1-21-16(11-5-9-14-7-3-2-4-8-14)13-15-10-6-12-17(20)18(15)19/h2-4,6-8,10,12,16,21H,5,9,11,13H2,1H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-N-methyl-5-phenylpentan-2-amine?
1-(2-bromo-3-fluorophenyl)-N-methyl-5-phenylpentan-2-amine has a molecular weight of 350.27 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-N-methyl-5-phenylpentan-2-amine is sourced from PubChem (CID 105172022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).