1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine

C10H13BrClNO — CID 43480286

IUPAC1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine
SMILESCNC(C)c1cc(Cl)cc(Br)c1OC
InChIInChI=1S/C10H13BrClNO/c1-6(13-2)8-4-7(12)5-9(11)10(8)14-3/h4-6,13H,1-3H3
InChIKeyFOEFEPQGFFHPLS-UHFFFAOYSA-N
MW278.58 g/mol
LogP3.39
Rot. Bonds3

About 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine

1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine (PubChem CID 43480286) has the molecular formula C10H13BrClNO and a molecular weight of 278.58 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine
PubChem CID43480286
Molecular FormulaC10H13BrClNO
Molecular Weight278.58 g/mol
Exact Mass276.99
IUPAC Name1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine
SMILESCNC(C)c1cc(Cl)cc(Br)c1OC
InChIInChI=1S/C10H13BrClNO/c1-6(13-2)8-4-7(12)5-9(11)10(8)14-3/h4-6,13H,1-3H3
InChIKeyFOEFEPQGFFHPLS-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chloro-2-methoxybenzene
CID 63430739
1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 43480322
1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
CID 107960613
1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 43480336
1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 81329814
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanamine
CID 43110728
1-bromo-5-chloro-3-(1-chloro-2,2,3,3,3-pentafluoropropyl)-2-methoxybenzene
CID 63431153
1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 43480353
(1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine
CID 131168067
1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol
CID 104632696
1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43480319
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol
CID 61099475

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine (CID 43480286) is 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine is CNC(C)c1cc(Cl)cc(Br)c1OC.
What is the InChIKey of 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine?
The InChIKey is FOEFEPQGFFHPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO/c1-6(13-2)8-4-7(12)5-9(11)10(8)14-3/h4-6,13H,1-3H3.
What are the key properties of 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine?
1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine has a molecular weight of 278.58 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 43480286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).