2-(3-bromophenyl)-N-ethyl-2-methoxyethanamine

C11H16BrNO — CID 62107996

IUPAC2-(3-bromophenyl)-N-ethyl-2-methoxyethanamine
SMILESCCNCC(OC)c1cccc(Br)c1
InChIInChI=1S/C11H16BrNO/c1-3-13-8-11(14-2)9-5-4-6-10(12)7-9/h4-7,11,13H,3,8H2,1-2H3
InChIKeyJFZHJIZUVSCALR-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.75
Rot. Bonds5

About 2-(3-bromophenyl)-N-ethyl-2-methoxyethanamine

2-(3-bromophenyl)-N-ethyl-2-methoxyethanamine (PubChem CID 62107996) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-ethyl-2-methoxyethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-ethyl-2-methoxyethanamine
PubChem CID62107996
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name2-(3-bromophenyl)-N-ethyl-2-methoxyethanamine
SMILESCCNCC(OC)c1cccc(Br)c1
InChIInChI=1S/C11H16BrNO/c1-3-13-8-11(14-2)9-5-4-6-10(12)7-9/h4-7,11,13H,3,8H2,1-2H3
InChIKeyJFZHJIZUVSCALR-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 62108729
2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]-N-ethylethanamine
CID 82805323
2-(3-bromophenyl)-N-ethyl-2-(oxolan-3-ylmethoxy)ethanamine
CID 55036296
2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine
CID 79442906
N-[2-(3-bromophenyl)-2-butan-2-yloxyethyl]propan-1-amine
CID 55036561
2-(3-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
CID 79442599
N-[2-(3-bromophenyl)-2-hexoxyethyl]propan-1-amine
CID 63475192
2-(3-bromophenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 79443653
1-(3-bromophenyl)-N-ethyl-2-methoxyethanamine
CID 79575057
2-(4-bromo-2-chlorophenoxy)-N-ethyl-2-phenylethanamine
CID 63498240
3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine
CID 79430252
2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine
CID 79443421

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-ethyl-2-methoxyethanamine?
The IUPAC name of 2-(3-bromophenyl)-N-ethyl-2-methoxyethanamine (CID 62107996) is 2-(3-bromophenyl)-N-ethyl-2-methoxyethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-N-ethyl-2-methoxyethanamine?
The canonical SMILES for 2-(3-bromophenyl)-N-ethyl-2-methoxyethanamine is CCNCC(OC)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-ethyl-2-methoxyethanamine?
The InChIKey is JFZHJIZUVSCALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-3-13-8-11(14-2)9-5-4-6-10(12)7-9/h4-7,11,13H,3,8H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-N-ethyl-2-methoxyethanamine?
2-(3-bromophenyl)-N-ethyl-2-methoxyethanamine has a molecular weight of 258.16 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-ethyl-2-methoxyethanamine is sourced from PubChem (CID 62107996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).