2-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)ethanamine

C17H20BrNO — CID 63457818

IUPAC2-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)ethanamine
SMILESCC(C)c1ccc(OC(CN)c2ccccc2Br)cc1
InChIInChI=1S/C17H20BrNO/c1-12(2)13-7-9-14(10-8-13)20-17(11-19)15-5-3-4-6-16(15)18/h3-10,12,17H,11,19H2,1-2H3
InChIKeyRGLPHEWRSIAIBD-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.65
Rot. Bonds5

About 2-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)ethanamine

2-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)ethanamine (PubChem CID 63457818) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)ethanamine
PubChem CID63457818
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name2-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)ethanamine
SMILESCC(C)c1ccc(OC(CN)c2ccccc2Br)cc1
InChIInChI=1S/C17H20BrNO/c1-12(2)13-7-9-14(10-8-13)20-17(11-19)15-5-3-4-6-16(15)18/h3-10,12,17H,11,19H2,1-2H3
InChIKeyRGLPHEWRSIAIBD-UHFFFAOYSA-N
XLogP4.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-2-(4-methylphenoxy)ethanamine
CID 55022309
2-(2-bromophenyl)-2-(3,5-dimethylphenoxy)ethanamine
CID 55022743
2-(4-bromo-3,5-dimethylphenoxy)-2-(2-bromophenyl)ethanamine
CID 107722774
2-(2-bromophenyl)-2-(3-methylphenoxy)ethanamine
CID 55022790
2-(2-bromophenyl)-2-(2-fluorophenoxy)ethanamine
CID 55022598
2-(4-chlorophenoxy)-2-(2-methoxyphenyl)ethanamine
CID 55022034
2-(2-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66276282
2-(2-chlorophenyl)-2-(4-ethylphenoxy)ethanamine
CID 55022375
2-(4-bromophenoxy)-2-(4-bromophenyl)ethanamine
CID 55016034
(2-bromophenyl)-(4-propan-2-ylphenyl)methanol
CID 61083322
2-(2-bromophenoxy)-2-(2-chlorophenyl)ethanamine
CID 55022574
2-(2-bromophenyl)-2-phenylmethoxyethanamine
CID 55022401

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)ethanamine (CID 63457818) is 2-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)ethanamine is CC(C)c1ccc(OC(CN)c2ccccc2Br)cc1.
What is the InChIKey of 2-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)ethanamine?
The InChIKey is RGLPHEWRSIAIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-12(2)13-7-9-14(10-8-13)20-17(11-19)15-5-3-4-6-16(15)18/h3-10,12,17H,11,19H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)ethanamine?
2-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)ethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)ethanamine is sourced from PubChem (CID 63457818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).