1-(2-bromophenyl)-3-(2-fluorophenyl)-N-propylpropan-2-amine

C18H21BrFN — CID 63417230

IUPAC1-(2-bromophenyl)-3-(2-fluorophenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccccc1F)Cc1ccccc1Br
InChIInChI=1S/C18H21BrFN/c1-2-11-21-16(12-14-7-3-5-9-17(14)19)13-15-8-4-6-10-18(15)20/h3-10,16,21H,2,11-13H2,1H3
InChIKeyOWTURZPZLLTHKH-UHFFFAOYSA-N
MW350.27 g/mol
LogP4.74
Rot. Bonds7

About 1-(2-bromophenyl)-3-(2-fluorophenyl)-N-propylpropan-2-amine

1-(2-bromophenyl)-3-(2-fluorophenyl)-N-propylpropan-2-amine (PubChem CID 63417230) has the molecular formula C18H21BrFN and a molecular weight of 350.27 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(2-fluorophenyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(2-fluorophenyl)-N-propylpropan-2-amine
PubChem CID63417230
Molecular FormulaC18H21BrFN
Molecular Weight350.27 g/mol
Exact Mass349.08
IUPAC Name1-(2-bromophenyl)-3-(2-fluorophenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccccc1F)Cc1ccccc1Br
InChIInChI=1S/C18H21BrFN/c1-2-11-21-16(12-14-7-3-5-9-17(14)19)13-15-8-4-6-10-18(15)20/h3-10,16,21H,2,11-13H2,1H3
InChIKeyOWTURZPZLLTHKH-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-(2-bromophenyl)-3-phenyl-N-propylpropan-2-amine
CID 60817947
1-(2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 61066309
1-(2-fluorophenyl)-3-methylsulfonyl-N-propylpropan-2-amine
CID 62472909
1-(2-bromophenyl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine
CID 103149935
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 62605376
1-(2-fluorophenyl)-4-methoxy-N-propylpentan-2-amine
CID 113391483
1-(2-fluorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824475
6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine
CID 115516510
1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine
CID 62601665
N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61066311
2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 63522301
1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine
CID 63420097

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(2-fluorophenyl)-N-propylpropan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(2-fluorophenyl)-N-propylpropan-2-amine (CID 63417230) is 1-(2-bromophenyl)-3-(2-fluorophenyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(2-fluorophenyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(2-fluorophenyl)-N-propylpropan-2-amine is CCCNC(Cc1ccccc1F)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(2-fluorophenyl)-N-propylpropan-2-amine?
The InChIKey is OWTURZPZLLTHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrFN/c1-2-11-21-16(12-14-7-3-5-9-17(14)19)13-15-8-4-6-10-18(15)20/h3-10,16,21H,2,11-13H2,1H3.
What are the key properties of 1-(2-bromophenyl)-3-(2-fluorophenyl)-N-propylpropan-2-amine?
1-(2-bromophenyl)-3-(2-fluorophenyl)-N-propylpropan-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-bromophenyl)-3-(2-fluorophenyl)-N-propylpropan-2-amine is sourced from PubChem (CID 63417230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).