1-(2-bromo-5-methoxyphenyl)-2-(2-chlorophenyl)-N-ethylethanamine

C17H19BrClNO — CID 63528581

IUPAC1-(2-bromo-5-methoxyphenyl)-2-(2-chlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Cl)c1cc(OC)ccc1Br
InChIInChI=1S/C17H19BrClNO/c1-3-20-17(10-12-6-4-5-7-16(12)19)14-11-13(21-2)8-9-15(14)18/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyJYVHAENUMIYZPF-UHFFFAOYSA-N
MW368.70 g/mol
LogP5.00
Rot. Bonds6

About 1-(2-bromo-5-methoxyphenyl)-2-(2-chlorophenyl)-N-ethylethanamine

1-(2-bromo-5-methoxyphenyl)-2-(2-chlorophenyl)-N-ethylethanamine (PubChem CID 63528581) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-2-(2-chlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-2-(2-chlorophenyl)-N-ethylethanamine
PubChem CID63528581
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC Name1-(2-bromo-5-methoxyphenyl)-2-(2-chlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Cl)c1cc(OC)ccc1Br
InChIInChI=1S/C17H19BrClNO/c1-3-20-17(10-12-6-4-5-7-16(12)19)14-11-13(21-2)8-9-15(14)18/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyJYVHAENUMIYZPF-UHFFFAOYSA-N
XLogP5.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.70
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-bromo-5-methoxyphenyl)-2-(2,3-dichlorophenyl)ethyl]hydrazine
CID 107312937
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 65325071
1-(2-bromo-5-methoxyphenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 102867365
1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 105177265
1-(2-bromo-5-methoxyphenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 105151508
1-(2-bromo-5-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
CID 107312331
1-(2-bromo-5-methoxyphenyl)-2-(2,4-dichlorophenyl)-N-methylethanamine
CID 105132934
1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine
CID 105164999
N-[1-(2-bromo-5-fluorophenyl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 63529110
2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 63415143
1-(2-bromofuran-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 106854656
1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
CID 105180870

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(2-chlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(2-chlorophenyl)-N-ethylethanamine (CID 63528581) is 1-(2-bromo-5-methoxyphenyl)-2-(2-chlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-2-(2-chlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-2-(2-chlorophenyl)-N-ethylethanamine is CCNC(Cc1ccccc1Cl)c1cc(OC)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-2-(2-chlorophenyl)-N-ethylethanamine?
The InChIKey is JYVHAENUMIYZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-3-20-17(10-12-6-4-5-7-16(12)19)14-11-13(21-2)8-9-15(14)18/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-2-(2-chlorophenyl)-N-ethylethanamine?
1-(2-bromo-5-methoxyphenyl)-2-(2-chlorophenyl)-N-ethylethanamine has a molecular weight of 368.70 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-2-(2-chlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 63528581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).