1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine

C17H19BrClNO — CID 63527751

IUPAC1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
SMILESCCNC(Cc1cccc(OC)c1)c1cc(Br)ccc1Cl
InChIInChI=1S/C17H19BrClNO/c1-3-20-17(15-11-13(18)7-8-16(15)19)10-12-5-4-6-14(9-12)21-2/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyFHQYODBLWVRLFJ-UHFFFAOYSA-N
MW368.70 g/mol
LogP5.00
Rot. Bonds6

About 1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine

1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine (PubChem CID 63527751) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
PubChem CID63527751
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC Name1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
SMILESCCNC(Cc1cccc(OC)c1)c1cc(Br)ccc1Cl
InChIInChI=1S/C17H19BrClNO/c1-3-20-17(15-11-13(18)7-8-16(15)19)10-12-5-4-6-14(9-12)21-2/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyFHQYODBLWVRLFJ-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-(4-bromo-2-methylphenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 63527401
1-(5-bromo-2-chlorophenyl)-2-(3-methoxyphenyl)ethanol
CID 63018644
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 64714865
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 107945442
1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 43562110
1-(5-bromo-2-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 63507204
1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 61066458
2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 63508792
N-ethyl-2-(3-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 79802298
1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 105133699
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 105394780
1-(5-bromo-2-methylphenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 65306974

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine (CID 63527751) is 1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine is CCNC(Cc1cccc(OC)c1)c1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine?
The InChIKey is FHQYODBLWVRLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-3-20-17(15-11-13(18)7-8-16(15)19)10-12-5-4-6-14(9-12)21-2/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine?
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine 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-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 63527751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).