(1R)-N-[2-(4-bromophenoxy)ethyl]-1-(2-methoxyphenyl)ethanamine

C17H20BrNO2 — CID 81390396

IUPAC(1R)-N-[2-(4-bromophenoxy)ethyl]-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1[C@@H](C)NCCOc1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO2/c1-13(16-5-3-4-6-17(16)20-2)19-11-12-21-15-9-7-14(18)8-10-15/h3-10,13,19H,11-12H2,1-2H3/t13-/m1/s1
InChIKeyUOQIWDDWQUNDJO-CYBMUJFWSA-N
MW350.26 g/mol
LogP4.19
Rot. Bonds7

About (1R)-N-[2-(4-bromophenoxy)ethyl]-1-(2-methoxyphenyl)ethanamine

(1R)-N-[2-(4-bromophenoxy)ethyl]-1-(2-methoxyphenyl)ethanamine (PubChem CID 81390396) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is (1R)-N-[2-(4-bromophenoxy)ethyl]-1-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[2-(4-bromophenoxy)ethyl]-1-(2-methoxyphenyl)ethanamine
PubChem CID81390396
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name(1R)-N-[2-(4-bromophenoxy)ethyl]-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1[C@@H](C)NCCOc1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO2/c1-13(16-5-3-4-6-17(16)20-2)19-11-12-21-15-9-7-14(18)8-10-15/h3-10,13,19H,11-12H2,1-2H3/t13-/m1/s1
InChIKeyUOQIWDDWQUNDJO-CYBMUJFWSA-N
XLogP4.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-bromophenoxy)ethyl]-1-(2-methylphenyl)ethanamine
CID 63490336
(1R)-N-[2-(4-bromophenoxy)ethyl]-1-(2-chlorophenyl)ethanamine
CID 81379643
N-[2-(4-bromophenoxy)ethyl]-1-[4-(2-methoxyphenyl)phenyl]ethanamine
CID 166385004
(1R)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(2-methoxyphenyl)ethanamine
CID 104562658
(1R)-1-(2-methoxyphenyl)-N-(2-propoxyethyl)ethanamine
CID 106452312
2-(4-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 60690018
(1R)-1-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]ethanamine
CID 81374457
(1S)-N-[2-(4-bromophenoxy)ethyl]-1-thiophen-2-ylethanamine
CID 81408946
N-[2-(4-bromophenoxy)ethyl]-1-methoxypropan-2-amine
CID 60688516
N-[(1R)-1-(2-bromophenyl)ethyl]-3-phenoxypropan-1-amine
CID 81383584
N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 60887758
(1S)-1-(2-butoxyphenyl)-N-(2-methoxyethyl)ethanamine
CID 100556304

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[2-(4-bromophenoxy)ethyl]-1-(2-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-[2-(4-bromophenoxy)ethyl]-1-(2-methoxyphenyl)ethanamine (CID 81390396) is (1R)-N-[2-(4-bromophenoxy)ethyl]-1-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[2-(4-bromophenoxy)ethyl]-1-(2-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-[2-(4-bromophenoxy)ethyl]-1-(2-methoxyphenyl)ethanamine is COc1ccccc1[C@@H](C)NCCOc1ccc(Br)cc1.
What is the InChIKey of (1R)-N-[2-(4-bromophenoxy)ethyl]-1-(2-methoxyphenyl)ethanamine?
The InChIKey is UOQIWDDWQUNDJO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-13(16-5-3-4-6-17(16)20-2)19-11-12-21-15-9-7-14(18)8-10-15/h3-10,13,19H,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-N-[2-(4-bromophenoxy)ethyl]-1-(2-methoxyphenyl)ethanamine?
(1R)-N-[2-(4-bromophenoxy)ethyl]-1-(2-methoxyphenyl)ethanamine has a molecular weight of 350.26 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-(4-bromophenoxy)ethyl]-1-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 81390396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).