1-(2-bromophenyl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine

C18H21BrFN — CID 64768760

IUPAC1-(2-bromophenyl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1ccccc1Br)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C18H21BrFN/c1-18(2,14-8-10-15(20)11-9-14)17(21-3)12-13-6-4-5-7-16(13)19/h4-11,17,21H,12H2,1-3H3
InChIKeyHMOKGRGUELAALN-UHFFFAOYSA-N
MW350.28 g/mol
LogP4.70
Rot. Bonds5

About 1-(2-bromophenyl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine

1-(2-bromophenyl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine (PubChem CID 64768760) has the molecular formula C18H21BrFN and a molecular weight of 350.28 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine
PubChem CID64768760
Molecular FormulaC18H21BrFN
Molecular Weight350.28 g/mol
Exact Mass349.08
IUPAC Name1-(2-bromophenyl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1ccccc1Br)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C18H21BrFN/c1-18(2,14-8-10-15(20)11-9-14)17(21-3)12-13-6-4-5-7-16(13)19/h4-11,17,21H,12H2,1-3H3
InChIKeyHMOKGRGUELAALN-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-amine
CID 64768948
N,3-dimethyl-1-(2-methylphenyl)-3-phenylbutan-2-amine
CID 63084673
3-(4-fluorophenyl)-N,3-dimethyl-1-(4-methylphenyl)butan-2-amine
CID 64767776
[1-(2-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-yl]hydrazine
CID 105223616
1-(2-bromo-5-fluorophenyl)-N,3,3-trimethylbutan-2-amine
CID 62599843
1-(2-bromo-4-fluorophenyl)-3-ethyl-3-methoxy-N-methylpentan-2-amine
CID 116760800
2-(2-bromophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 63420196
3-(4-fluorophenyl)-3-methyl-1-(2-methylphenyl)butan-2-amine
CID 64769730
[1-(2-bromophenyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
CID 105274246
1-(2-bromo-5-fluorophenyl)-3-methyl-3-phenylbutan-2-amine
CID 63086064
1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene
CID 134968828
2-(2-bromophenyl)-N-methyl-1-phenylethanamine
CID 60820242

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine (CID 64768760) is 1-(2-bromophenyl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine is CNC(Cc1ccccc1Br)C(C)(C)c1ccc(F)cc1.
What is the InChIKey of 1-(2-bromophenyl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine?
The InChIKey is HMOKGRGUELAALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrFN/c1-18(2,14-8-10-15(20)11-9-14)17(21-3)12-13-6-4-5-7-16(13)19/h4-11,17,21H,12H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine?
1-(2-bromophenyl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine has a molecular weight of 350.28 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 64768760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).