2-(4-bromophenyl)-N-ethyl-2-phenylmethoxyethanamine

C17H20BrNO — CID 62107358

IUPAC2-(4-bromophenyl)-N-ethyl-2-phenylmethoxyethanamine
SMILESCCNCC(OCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO/c1-2-19-12-17(15-8-10-16(18)11-9-15)20-13-14-6-4-3-5-7-14/h3-11,17,19H,2,12-13H2,1H3
InChIKeyDQNILZFEZKWVQM-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.32
Rot. Bonds7

About 2-(4-bromophenyl)-N-ethyl-2-phenylmethoxyethanamine

2-(4-bromophenyl)-N-ethyl-2-phenylmethoxyethanamine (PubChem CID 62107358) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-ethyl-2-phenylmethoxyethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-ethyl-2-phenylmethoxyethanamine
PubChem CID62107358
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name2-(4-bromophenyl)-N-ethyl-2-phenylmethoxyethanamine
SMILESCCNCC(OCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO/c1-2-19-12-17(15-8-10-16(18)11-9-15)20-13-14-6-4-3-5-7-14/h3-11,17,19H,2,12-13H2,1H3
InChIKeyDQNILZFEZKWVQM-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methoxy]-2-(4-chlorophenyl)-N-ethylethanamine
CID 82806329
2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]-N-ethylethanamine
CID 82805323
2-(4-bromophenyl)-N-ethyl-2-(3-methoxypropoxy)ethanamine
CID 62106282
2-(2-bromophenyl)-2-[(4-chlorophenyl)methoxy]-N-ethylethanamine
CID 65124744
2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine
CID 106205111
N-[2-(4-fluorophenyl)-2-phenylmethoxyethyl]propan-2-amine
CID 62108079
2-(4-bromo-2-chlorophenoxy)-N-ethyl-2-phenylethanamine
CID 63498240
1-bromo-4-[[2-bromo-1-(4-methylphenyl)ethoxy]methyl]benzene
CID 71492889
N-ethyl-2-phenyl-3-phenylmethoxypropan-1-amine
CID 102940555
2-(2-cyclopropylethoxy)-N-ethyl-2-phenylethanamine
CID 106204975
N-ethyl-2-(3-methylbut-3-enoxy)-2-phenylethanamine
CID 114470791
2-[(3-chlorophenyl)methoxy]-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 65124788

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-ethyl-2-phenylmethoxyethanamine?
The IUPAC name of 2-(4-bromophenyl)-N-ethyl-2-phenylmethoxyethanamine (CID 62107358) is 2-(4-bromophenyl)-N-ethyl-2-phenylmethoxyethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-N-ethyl-2-phenylmethoxyethanamine?
The canonical SMILES for 2-(4-bromophenyl)-N-ethyl-2-phenylmethoxyethanamine is CCNCC(OCc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-ethyl-2-phenylmethoxyethanamine?
The InChIKey is DQNILZFEZKWVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-2-19-12-17(15-8-10-16(18)11-9-15)20-13-14-6-4-3-5-7-14/h3-11,17,19H,2,12-13H2,1H3.
What are the key properties of 2-(4-bromophenyl)-N-ethyl-2-phenylmethoxyethanamine?
2-(4-bromophenyl)-N-ethyl-2-phenylmethoxyethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-ethyl-2-phenylmethoxyethanamine is sourced from PubChem (CID 62107358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).