2-(3-bromophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine

C17H20BrNO2 — CID 62106102

IUPAC2-(3-bromophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine
SMILESCNCC(OCc1cccc(OC)c1)c1cccc(Br)c1
InChIInChI=1S/C17H20BrNO2/c1-19-11-17(14-6-4-7-15(18)10-14)21-12-13-5-3-8-16(9-13)20-2/h3-10,17,19H,11-12H2,1-2H3
InChIKeyFADWEYOGBNSPFO-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.93
Rot. Bonds7

About 2-(3-bromophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine

2-(3-bromophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine (PubChem CID 62106102) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine
PubChem CID62106102
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name2-(3-bromophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine
SMILESCNCC(OCc1cccc(OC)c1)c1cccc(Br)c1
InChIInChI=1S/C17H20BrNO2/c1-19-11-17(14-6-4-7-15(18)10-14)21-12-13-5-3-8-16(9-13)20-2/h3-10,17,19H,11-12H2,1-2H3
InChIKeyFADWEYOGBNSPFO-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine
CID 62106822
2-[(3-methoxyphenyl)methoxy]-N-methyl-2-(2-methylphenyl)ethanamine
CID 62106288
2-(3-bromophenyl)-2-butoxy-N-methylethanamine
CID 62107473
1-bromo-3-[[2-bromo-1-(4-methoxyphenyl)ethoxy]methyl]benzene
CID 82831276
1-[[2-bromo-1-(4-methoxyphenyl)ethoxy]methyl]-3-methoxybenzene
CID 62112704
2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]-N-ethylethanamine
CID 82805323
2-(3-bromophenyl)-2-[3-(2-methoxyethoxy)propoxy]-N-methylethanamine
CID 103405191
2-hexoxy-2-(3-methoxyphenyl)-N-methylethanamine
CID 55036389
2-(3-methoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine
CID 103180506
2-(3-methoxyphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82792850
1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 61064465
(1S)-N-[(1R)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318714

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine?
The IUPAC name of 2-(3-bromophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine (CID 62106102) is 2-(3-bromophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine?
The canonical SMILES for 2-(3-bromophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine is CNCC(OCc1cccc(OC)c1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine?
The InChIKey is FADWEYOGBNSPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-19-11-17(14-6-4-7-15(18)10-14)21-12-13-5-3-8-16(9-13)20-2/h3-10,17,19H,11-12H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine?
2-(3-bromophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine has a molecular weight of 350.26 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine is sourced from PubChem (CID 62106102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).