1-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine

C16H16BrCl2NO — CID 107305892

IUPAC1-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Br)ccc1OCc1cccc(Cl)c1Cl
InChIInChI=1S/C16H16BrCl2NO/c1-10(20-2)13-8-12(17)6-7-15(13)21-9-11-4-3-5-14(18)16(11)19/h3-8,10,20H,9H2,1-2H3
InChIKeyHMCKAHFUKAHTSK-UHFFFAOYSA-N
MW389.12 g/mol
LogP5.62
Rot. Bonds5

About 1-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine

1-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine (PubChem CID 107305892) has the molecular formula C16H16BrCl2NO and a molecular weight of 389.12 g/mol. Its IUPAC name is 1-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine
PubChem CID107305892
Molecular FormulaC16H16BrCl2NO
Molecular Weight389.12 g/mol
Exact Mass386.98
IUPAC Name1-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Br)ccc1OCc1cccc(Cl)c1Cl
InChIInChI=1S/C16H16BrCl2NO/c1-10(20-2)13-8-12(17)6-7-15(13)21-9-11-4-3-5-14(18)16(11)19/h3-8,10,20H,9H2,1-2H3
InChIKeyHMCKAHFUKAHTSK-UHFFFAOYSA-N
XLogP5.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.12
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-2-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine
CID 82976139
1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 114847977
1-[5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 102855714
2-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]ethanamine
CID 107309269
1-[2-[(2,6-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylethanamine
CID 63499730
1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine
CID 107305773
1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 107305765
(1R)-1-[2-[(2,3-dichlorophenyl)methoxy]-5-methylphenyl]ethanol
CID 107306824
N-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 82955315
1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylethanamine
CID 106861750
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 82975373
3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]propan-1-ol
CID 62393180

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine (CID 107305892) is 1-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine is CNC(C)c1cc(Br)ccc1OCc1cccc(Cl)c1Cl.
What is the InChIKey of 1-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine?
The InChIKey is HMCKAHFUKAHTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl2NO/c1-10(20-2)13-8-12(17)6-7-15(13)21-9-11-4-3-5-14(18)16(11)19/h3-8,10,20H,9H2,1-2H3.
What are the key properties of 1-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine?
1-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine has a molecular weight of 389.12 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 107305892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).