1-(2-bromophenyl)-1-(2-ethoxyphenyl)ethanamine

C16H18BrNO — CID 55120471

IUPAC1-(2-bromophenyl)-1-(2-ethoxyphenyl)ethanamine
SMILESCCOc1ccccc1C(C)(N)c1ccccc1Br
InChIInChI=1S/C16H18BrNO/c1-3-19-15-11-7-5-9-13(15)16(2,18)12-8-4-6-10-14(12)17/h4-11H,3,18H2,1-2H3
InChIKeyLCUYASMJLROZKJ-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.07
Rot. Bonds4

About 1-(2-bromophenyl)-1-(2-ethoxyphenyl)ethanamine

1-(2-bromophenyl)-1-(2-ethoxyphenyl)ethanamine (PubChem CID 55120471) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-(2-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-(2-ethoxyphenyl)ethanamine
PubChem CID55120471
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name1-(2-bromophenyl)-1-(2-ethoxyphenyl)ethanamine
SMILESCCOc1ccccc1C(C)(N)c1ccccc1Br
InChIInChI=1S/C16H18BrNO/c1-3-19-15-11-7-5-9-13(15)16(2,18)12-8-4-6-10-14(12)17/h4-11H,3,18H2,1-2H3
InChIKeyLCUYASMJLROZKJ-UHFFFAOYSA-N
XLogP4.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-1-(2-propoxyphenyl)ethanamine
CID 104659022
1-(2-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanamine
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1-(2-bromophenyl)-1-(2-fluorophenyl)ethanamine
CID 62500949
3-(2-ethoxyphenyl)-2-methylpentan-3-amine
CID 62802052
1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 107140543
1-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
CID 139967229
1-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62787303
1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanamine
CID 103523005
(2-tert-butylphenyl)-(2-ethoxyphenyl)methanamine
CID 115853781
4-(2-ethoxyphenyl)heptan-4-ol
CID 114866097
2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol
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ethyl 3-(2-ethoxyphenyl)-2,2-difluoro-3-hydroxybutanoate
CID 62397772

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-(2-ethoxyphenyl)ethanamine?
The IUPAC name of 1-(2-bromophenyl)-1-(2-ethoxyphenyl)ethanamine (CID 55120471) is 1-(2-bromophenyl)-1-(2-ethoxyphenyl)ethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-1-(2-ethoxyphenyl)ethanamine?
The canonical SMILES for 1-(2-bromophenyl)-1-(2-ethoxyphenyl)ethanamine is CCOc1ccccc1C(C)(N)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-1-(2-ethoxyphenyl)ethanamine?
The InChIKey is LCUYASMJLROZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-3-19-15-11-7-5-9-13(15)16(2,18)12-8-4-6-10-14(12)17/h4-11H,3,18H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-1-(2-ethoxyphenyl)ethanamine?
1-(2-bromophenyl)-1-(2-ethoxyphenyl)ethanamine has a molecular weight of 320.23 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-(2-ethoxyphenyl)ethanamine is sourced from PubChem (CID 55120471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).