2-(2-bromophenyl)-1-(4-tert-butylphenyl)ethanamine

C18H22BrN — CID 63419920

IUPAC2-(2-bromophenyl)-1-(4-tert-butylphenyl)ethanamine
SMILESCC(C)(C)c1ccc(C(N)Cc2ccccc2Br)cc1
InChIInChI=1S/C18H22BrN/c1-18(2,3)15-10-8-13(9-11-15)17(20)12-14-6-4-5-7-16(14)19/h4-11,17H,12,20H2,1-3H3
InChIKeySSFZCBWQFBUHCL-UHFFFAOYSA-N
MW332.29 g/mol
LogP4.99
Rot. Bonds3

About 2-(2-bromophenyl)-1-(4-tert-butylphenyl)ethanamine

2-(2-bromophenyl)-1-(4-tert-butylphenyl)ethanamine (PubChem CID 63419920) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(4-tert-butylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(4-tert-butylphenyl)ethanamine
PubChem CID63419920
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC Name2-(2-bromophenyl)-1-(4-tert-butylphenyl)ethanamine
SMILESCC(C)(C)c1ccc(C(N)Cc2ccccc2Br)cc1
InChIInChI=1S/C18H22BrN/c1-18(2,3)15-10-8-13(9-11-15)17(20)12-14-6-4-5-7-16(14)19/h4-11,17H,12,20H2,1-3H3
InChIKeySSFZCBWQFBUHCL-UHFFFAOYSA-N
XLogP4.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-[(4-tert-butylphenyl)methyl]benzene
CID 171716628
2-(4-bromophenyl)-1-(4-tert-butylphenyl)ethanamine
CID 43106267
2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanamine
CID 115839730
1-(2-bromophenyl)-3,3-difluorobutan-2-amine
CID 84711182
1-(2-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-amine
CID 64768948
2-(2-bromophenyl)-1-(1-propylpyrazol-4-yl)ethanamine
CID 62829496
1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 64560038
2-(2-bromophenyl)-1-(3-methoxyphenyl)ethanamine
CID 55026907
2-(2-bromophenyl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103214557
1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105376976
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
(2R)-3-(2-bromophenyl)-1,1,1-trifluoropropan-2-amine
CID 97110840

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(4-tert-butylphenyl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-(4-tert-butylphenyl)ethanamine (CID 63419920) is 2-(2-bromophenyl)-1-(4-tert-butylphenyl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(4-tert-butylphenyl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-(4-tert-butylphenyl)ethanamine is CC(C)(C)c1ccc(C(N)Cc2ccccc2Br)cc1.
What is the InChIKey of 2-(2-bromophenyl)-1-(4-tert-butylphenyl)ethanamine?
The InChIKey is SSFZCBWQFBUHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-18(2,3)15-10-8-13(9-11-15)17(20)12-14-6-4-5-7-16(14)19/h4-11,17H,12,20H2,1-3H3.
What are the key properties of 2-(2-bromophenyl)-1-(4-tert-butylphenyl)ethanamine?
2-(2-bromophenyl)-1-(4-tert-butylphenyl)ethanamine has a molecular weight of 332.29 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(4-tert-butylphenyl)ethanamine is sourced from PubChem (CID 63419920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).