1-(3-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine

C18H21BrFN — CID 107952774

IUPAC1-(3-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(Cc1ccc(C(C)C)cc1)c1cccc(Br)c1F
InChIInChI=1S/C18H21BrFN/c1-12(2)14-9-7-13(8-10-14)11-17(21-3)15-5-4-6-16(19)18(15)20/h4-10,12,17,21H,11H2,1-3H3
InChIKeyYPIHOOHNKZQTGV-UHFFFAOYSA-N
MW350.28 g/mol
LogP5.21
Rot. Bonds5

About 1-(3-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine

1-(3-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 107952774) has the molecular formula C18H21BrFN and a molecular weight of 350.28 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID107952774
Molecular FormulaC18H21BrFN
Molecular Weight350.28 g/mol
Exact Mass349.08
IUPAC Name1-(3-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(Cc1ccc(C(C)C)cc1)c1cccc(Br)c1F
InChIInChI=1S/C18H21BrFN/c1-12(2)14-9-7-13(8-10-14)11-17(21-3)15-5-4-6-16(19)18(15)20/h4-10,12,17,21H,11H2,1-3H3
InChIKeyYPIHOOHNKZQTGV-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.28
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 106645338
1-(2-fluoro-3-methylphenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844233
1-(2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63083908
1-(3-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)-N-methylethanamine
CID 107952546
2-(4-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 64713817
1-(2,3-dimethylphenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844094
2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine
CID 81477648
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 114906488
N-methyl-1-(2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 63413775
(2R)-2-(3-bromo-2-fluorophenyl)-2-(methylamino)ethanol
CID 131031091
1-(2,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844386
1-(2-bromofuran-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 106857333

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine (CID 107952774) is 1-(3-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine is CNC(Cc1ccc(C(C)C)cc1)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is YPIHOOHNKZQTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrFN/c1-12(2)14-9-7-13(8-10-14)11-17(21-3)15-5-4-6-16(19)18(15)20/h4-10,12,17,21H,11H2,1-3H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
1-(3-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 350.28 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 107952774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).