1-(4-bromo-2-chlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanamine

C18H21BrClN — CID 116543051

IUPAC1-(4-bromo-2-chlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanamine
SMILESCC(C)Cc1cccc(C(C)(N)c2ccc(Br)cc2Cl)c1
InChIInChI=1S/C18H21BrClN/c1-12(2)9-13-5-4-6-14(10-13)18(3,21)16-8-7-15(19)11-17(16)20/h4-8,10-12H,9,21H2,1-3H3
InChIKeyUKLNDNPNTYHBFD-UHFFFAOYSA-N
MW366.73 g/mol
LogP5.52
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanamine

1-(4-bromo-2-chlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanamine (PubChem CID 116543051) has the molecular formula C18H21BrClN and a molecular weight of 366.73 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanamine
PubChem CID116543051
Molecular FormulaC18H21BrClN
Molecular Weight366.73 g/mol
Exact Mass365.05
IUPAC Name1-(4-bromo-2-chlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanamine
SMILESCC(C)Cc1cccc(C(C)(N)c2ccc(Br)cc2Cl)c1
InChIInChI=1S/C18H21BrClN/c1-12(2)9-13-5-4-6-14(10-13)18(3,21)16-8-7-15(19)11-17(16)20/h4-8,10-12H,9,21H2,1-3H3
InChIKeyUKLNDNPNTYHBFD-UHFFFAOYSA-N
XLogP5.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.73
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanamine (CID 116543051) is 1-(4-bromo-2-chlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanamine is CC(C)Cc1cccc(C(C)(N)c2ccc(Br)cc2Cl)c1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanamine?
The InChIKey is UKLNDNPNTYHBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrClN/c1-12(2)9-13-5-4-6-14(10-13)18(3,21)16-8-7-15(19)11-17(16)20/h4-8,10-12H,9,21H2,1-3H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanamine?
1-(4-bromo-2-chlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanamine has a molecular weight of 366.73 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanamine is sourced from PubChem (CID 116543051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).