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

C18H22BrN — CID 43106267

IUPAC2-(4-bromophenyl)-1-(4-tert-butylphenyl)ethanamine
SMILESCC(C)(C)c1ccc(C(N)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H22BrN/c1-18(2,3)15-8-6-14(7-9-15)17(20)12-13-4-10-16(19)11-5-13/h4-11,17H,12,20H2,1-3H3
InChIKeyZLNKJTHAAYVUGZ-UHFFFAOYSA-N
MW332.29 g/mol
LogP4.99
Rot. Bonds3

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

2-(4-bromophenyl)-1-(4-tert-butylphenyl)ethanamine (PubChem CID 43106267) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4-tert-butylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4-tert-butylphenyl)ethanamine
PubChem CID43106267
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC Name2-(4-bromophenyl)-1-(4-tert-butylphenyl)ethanamine
SMILESCC(C)(C)c1ccc(C(N)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H22BrN/c1-18(2,3)15-8-6-14(7-9-15)17(20)12-13-4-10-16(19)11-5-13/h4-11,17H,12,20H2,1-3H3
InChIKeyZLNKJTHAAYVUGZ-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-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62114714
2-(4-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 24697978
2-(4-tert-butylphenyl)-1-(2,5-dibromophenyl)ethanamine
CID 115842956
1-(4-tert-butylphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63415791
2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanamine
CID 115839730
2-(4-tert-butylphenyl)-1-pyrimidin-5-ylethanamine
CID 102923357
2-(2-bromophenyl)-1-(4-tert-butylphenyl)ethanamine
CID 63419920
1-(3-bromo-4-methylphenyl)-2-(4-bromophenyl)ethanamine
CID 81471892
2-(4-tert-butylphenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107992613
2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 115803330
2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 55026181
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4-tert-butylphenyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(4-tert-butylphenyl)ethanamine (CID 43106267) is 2-(4-bromophenyl)-1-(4-tert-butylphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4-tert-butylphenyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(4-tert-butylphenyl)ethanamine is CC(C)(C)c1ccc(C(N)Cc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-(4-tert-butylphenyl)ethanamine?
The InChIKey is ZLNKJTHAAYVUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-18(2,3)15-8-6-14(7-9-15)17(20)12-13-4-10-16(19)11-5-13/h4-11,17H,12,20H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-1-(4-tert-butylphenyl)ethanamine?
2-(4-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-(4-bromophenyl)-1-(4-tert-butylphenyl)ethanamine is sourced from PubChem (CID 43106267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).