1-(4-bromo-2-phenylmethoxyphenyl)-N-ethylethanamine

C17H20BrNO — CID 82976068

IUPAC1-(4-bromo-2-phenylmethoxyphenyl)-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1OCc1ccccc1
InChIInChI=1S/C17H20BrNO/c1-3-19-13(2)16-10-9-15(18)11-17(16)20-12-14-7-5-4-6-8-14/h4-11,13,19H,3,12H2,1-2H3
InChIKeyDIFHVBMTMYWCST-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.70
Rot. Bonds6

About 1-(4-bromo-2-phenylmethoxyphenyl)-N-ethylethanamine

1-(4-bromo-2-phenylmethoxyphenyl)-N-ethylethanamine (PubChem CID 82976068) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-(4-bromo-2-phenylmethoxyphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-phenylmethoxyphenyl)-N-ethylethanamine
PubChem CID82976068
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-(4-bromo-2-phenylmethoxyphenyl)-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1OCc1ccccc1
InChIInChI=1S/C17H20BrNO/c1-3-19-13(2)16-10-9-15(18)11-17(16)20-12-14-7-5-4-6-8-14/h4-11,13,19H,3,12H2,1-2H3
InChIKeyDIFHVBMTMYWCST-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]-N-ethylethanamine
CID 102947675
N-ethyl-1-(4-methyl-2-phenylmethoxyphenyl)ethanamine
CID 63640314
1-[2-[(4-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine
CID 63640996
1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine
CID 63640634
1-[4-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-ethylethanamine
CID 102947792
1-(4-bromo-2-butoxyphenyl)-N-ethylethanamine
CID 82976092
1-[4-bromo-2-(2-methoxyethoxy)phenyl]-N-ethylethanamine
CID 82976363
1-[4-bromo-2-(1,3-thiazol-2-ylmethoxy)phenyl]-N-ethylethanamine
CID 102947651
1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-ethylethanamine
CID 102947607
1-[4-bromo-2-(2-pyridin-4-ylethoxy)phenyl]-N-ethylethanamine
CID 102947767
1-[4-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-ethylethanamine
CID 102947693
1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine
CID 102947699

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-phenylmethoxyphenyl)-N-ethylethanamine?
The IUPAC name of 1-(4-bromo-2-phenylmethoxyphenyl)-N-ethylethanamine (CID 82976068) is 1-(4-bromo-2-phenylmethoxyphenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(4-bromo-2-phenylmethoxyphenyl)-N-ethylethanamine?
The canonical SMILES for 1-(4-bromo-2-phenylmethoxyphenyl)-N-ethylethanamine is CCNC(C)c1ccc(Br)cc1OCc1ccccc1.
What is the InChIKey of 1-(4-bromo-2-phenylmethoxyphenyl)-N-ethylethanamine?
The InChIKey is DIFHVBMTMYWCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-3-19-13(2)16-10-9-15(18)11-17(16)20-12-14-7-5-4-6-8-14/h4-11,13,19H,3,12H2,1-2H3.
What are the key properties of 1-(4-bromo-2-phenylmethoxyphenyl)-N-ethylethanamine?
1-(4-bromo-2-phenylmethoxyphenyl)-N-ethylethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-phenylmethoxyphenyl)-N-ethylethanamine is sourced from PubChem (CID 82976068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).