3-(3-bromo-5-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine

C17H19BrFN — CID 104845358

IUPAC3-(3-bromo-5-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C17H19BrFN/c1-12(8-13-9-15(18)11-16(19)10-13)17(20-2)14-6-4-3-5-7-14/h3-7,9-12,17,20H,8H2,1-2H3
InChIKeyCSZKBPWRKKNXEG-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.73
Rot. Bonds5

About 3-(3-bromo-5-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine

3-(3-bromo-5-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine (PubChem CID 104845358) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 3-(3-bromo-5-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-5-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine
PubChem CID104845358
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name3-(3-bromo-5-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C17H19BrFN/c1-12(8-13-9-15(18)11-16(19)10-13)17(20-2)14-6-4-3-5-7-14/h3-7,9-12,17,20H,8H2,1-2H3
InChIKeyCSZKBPWRKKNXEG-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine
CID 79702857
3-(3-bromo-5-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine
CID 116772571
2-(3-bromo-5-fluorophenyl)-1-(3-iodophenyl)-N-methylethanamine
CID 105015718
1-bromo-3-fluoro-5-(1-phenylethoxymethyl)benzene
CID 79702060
N-[(3-bromo-5-fluorophenyl)methyl]-1-phenylpropan-2-amine
CID 79710487
2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 79703082
N-[(3-bromo-5-fluorophenyl)methyl]-3-phenylbutan-1-amine
CID 79710629
2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylethanamine
CID 79700045
4-(3-bromo-5-fluorophenyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81017251
1-(3-bromo-5-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine
CID 105015690
1-(3-bromo-5-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 79700055
2-(3-bromo-5-fluorophenyl)-1-(2-tert-butylphenyl)ethanol
CID 115822740

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine?
The IUPAC name of 3-(3-bromo-5-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine (CID 104845358) is 3-(3-bromo-5-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(3-bromo-5-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine?
The canonical SMILES for 3-(3-bromo-5-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine is CNC(c1ccccc1)C(C)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 3-(3-bromo-5-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine?
The InChIKey is CSZKBPWRKKNXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-12(8-13-9-15(18)11-16(19)10-13)17(20-2)14-6-4-3-5-7-14/h3-7,9-12,17,20H,8H2,1-2H3.
What are the key properties of 3-(3-bromo-5-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine?
3-(3-bromo-5-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine has a molecular weight of 336.25 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine is sourced from PubChem (CID 104845358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).