1-(3-bromo-4-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine

C17H19BrClNO — CID 107988800

IUPAC1-(3-bromo-4-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccc(OC)cc1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C17H19BrClNO/c1-3-20-17(13-6-9-16(19)15(18)11-13)10-12-4-7-14(21-2)8-5-12/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyDWMMUVABBCWLTF-UHFFFAOYSA-N
MW368.70 g/mol
LogP5.00
Rot. Bonds6

About 1-(3-bromo-4-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine

1-(3-bromo-4-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine (PubChem CID 107988800) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
PubChem CID107988800
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC Name1-(3-bromo-4-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccc(OC)cc1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C17H19BrClNO/c1-3-20-17(13-6-9-16(19)15(18)11-13)10-12-4-7-14(21-2)8-5-12/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyDWMMUVABBCWLTF-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-(3,5-dibromophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 107980644
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 107955243
1-(4-bromo-3-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81296013
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 105394780
1-(3-bromo-4-chlorophenyl)-N-ethylbutan-1-amine
CID 115567637
N-[(3-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 107998668
1-(4-bromo-3-chlorophenyl)-N-ethyl-2-phenylethanamine
CID 81296107
1-(3-bromo-4-chlorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 113337160
1-(3-bromo-4-chlorophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 115567230
1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115567661
1-(3-bromo-4-methylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 115803182
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 55239729

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine (CID 107988800) is 1-(3-bromo-4-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine is CCNC(Cc1ccc(OC)cc1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine?
The InChIKey is DWMMUVABBCWLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-3-20-17(13-6-9-16(19)15(18)11-13)10-12-4-7-14(21-2)8-5-12/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine?
1-(3-bromo-4-chlorophenyl)-N-ethyl-2-(4-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-(3-bromo-4-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 107988800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).