1-(4-bromo-2-fluorophenyl)-N-methyl-5-phenylpentan-2-amine

C18H21BrFN — CID 105137092

IUPAC1-(4-bromo-2-fluorophenyl)-N-methyl-5-phenylpentan-2-amine
SMILESCNC(CCCc1ccccc1)Cc1ccc(Br)cc1F
InChIInChI=1S/C18H21BrFN/c1-21-17(9-5-8-14-6-3-2-4-7-14)12-15-10-11-16(19)13-18(15)20/h2-4,6-7,10-11,13,17,21H,5,8-9,12H2,1H3
InChIKeyQLMDICIYAISMHE-UHFFFAOYSA-N
MW350.27 g/mol
LogP4.74
Rot. Bonds7

About 1-(4-bromo-2-fluorophenyl)-N-methyl-5-phenylpentan-2-amine

1-(4-bromo-2-fluorophenyl)-N-methyl-5-phenylpentan-2-amine (PubChem CID 105137092) has the molecular formula C18H21BrFN and a molecular weight of 350.27 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-methyl-5-phenylpentan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-methyl-5-phenylpentan-2-amine
PubChem CID105137092
Molecular FormulaC18H21BrFN
Molecular Weight350.27 g/mol
Exact Mass349.08
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-methyl-5-phenylpentan-2-amine
SMILESCNC(CCCc1ccccc1)Cc1ccc(Br)cc1F
InChIInChI=1S/C18H21BrFN/c1-21-17(9-5-8-14-6-3-2-4-7-14)12-15-10-11-16(19)13-18(15)20/h2-4,6-7,10-11,13,17,21H,5,8-9,12H2,1H3
InChIKeyQLMDICIYAISMHE-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-(2-bromo-3-fluorophenyl)-N-methyl-5-phenylpentan-2-amine
CID 105172022
1-(4-bromo-2-fluorophenyl)-N-methyldecan-2-amine
CID 115844394
1-(4-bromo-2-fluorophenyl)-N-methylnonan-2-amine
CID 115844762
1-(2,4-difluorophenyl)-N-methyl-4-phenylbutan-2-amine
CID 62196246
4-(4-bromo-2-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346335
1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-amine
CID 55095032
1-(4-bromo-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62694239
3-(4-bromo-2-fluorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 79093587
1-(5-bromo-2-fluorophenyl)-4-phenylbutan-1-amine
CID 114894528
2-benzyl-3-(4-bromo-2-fluorophenyl)propanoic acid
CID 60793199
1-(4-bromo-2-fluorophenyl)-N-ethylnonan-2-amine
CID 115844761

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-methyl-5-phenylpentan-2-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-methyl-5-phenylpentan-2-amine (CID 105137092) is 1-(4-bromo-2-fluorophenyl)-N-methyl-5-phenylpentan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-methyl-5-phenylpentan-2-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-methyl-5-phenylpentan-2-amine is CNC(CCCc1ccccc1)Cc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-methyl-5-phenylpentan-2-amine?
The InChIKey is QLMDICIYAISMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrFN/c1-21-17(9-5-8-14-6-3-2-4-7-14)12-15-10-11-16(19)13-18(15)20/h2-4,6-7,10-11,13,17,21H,5,8-9,12H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-methyl-5-phenylpentan-2-amine?
1-(4-bromo-2-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-(4-bromo-2-fluorophenyl)-N-methyl-5-phenylpentan-2-amine is sourced from PubChem (CID 105137092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).