1-(4-bromo-3-chlorophenyl)-2-ethoxy-N-ethylethanamine

C12H17BrClNO — CID 105007854

IUPAC1-(4-bromo-3-chlorophenyl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H17BrClNO/c1-3-15-12(8-16-4-2)9-5-6-10(13)11(14)7-9/h5-7,12,15H,3-4,8H2,1-2H3
InChIKeyFSKGBXVCBLAOHK-UHFFFAOYSA-N
MW306.63 g/mol
LogP3.79
Rot. Bonds6

About 1-(4-bromo-3-chlorophenyl)-2-ethoxy-N-ethylethanamine

1-(4-bromo-3-chlorophenyl)-2-ethoxy-N-ethylethanamine (PubChem CID 105007854) has the molecular formula C12H17BrClNO and a molecular weight of 306.63 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-2-ethoxy-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-2-ethoxy-N-ethylethanamine
PubChem CID105007854
Molecular FormulaC12H17BrClNO
Molecular Weight306.63 g/mol
Exact Mass305.02
IUPAC Name1-(4-bromo-3-chlorophenyl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H17BrClNO/c1-3-15-12(8-16-4-2)9-5-6-10(13)11(14)7-9/h5-7,12,15H,3-4,8H2,1-2H3
InChIKeyFSKGBXVCBLAOHK-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.63
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-2-ethoxy-N-ethylethanamine
CID 79575550
1-(4-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine
CID 105008200
1-(4-bromo-3-chlorophenyl)-N-ethylbutan-1-amine
CID 114981903
1-(4-bromo-3-chlorophenyl)-2-ethoxyethanol
CID 115818736
1-(4-bromo-3-chlorophenyl)-N-ethylbut-3-yn-1-amine
CID 114977017
1-(4-bromo-3-chlorophenyl)-N-ethyl-2-phenylethanamine
CID 81296107
1-(5-bromo-2-chlorophenyl)-2-ethoxy-N-ethylethanamine
CID 105008140
1-(3-bromo-4-chlorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 113337160
1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propoxyethanamine
CID 79575664
1-(5-bromothiophen-3-yl)-2-ethoxy-N-ethylethanamine
CID 105165058
1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 115809495
1-(4-bromo-3-chlorophenyl)-2-(2-chloro-6-fluorophenyl)-N-ethylethanamine
CID 81293136

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-ethoxy-N-ethylethanamine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-ethoxy-N-ethylethanamine (CID 105007854) is 1-(4-bromo-3-chlorophenyl)-2-ethoxy-N-ethylethanamine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-2-ethoxy-N-ethylethanamine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-2-ethoxy-N-ethylethanamine is CCNC(COCC)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-2-ethoxy-N-ethylethanamine?
The InChIKey is FSKGBXVCBLAOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClNO/c1-3-15-12(8-16-4-2)9-5-6-10(13)11(14)7-9/h5-7,12,15H,3-4,8H2,1-2H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-2-ethoxy-N-ethylethanamine?
1-(4-bromo-3-chlorophenyl)-2-ethoxy-N-ethylethanamine has a molecular weight of 306.63 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-2-ethoxy-N-ethylethanamine is sourced from PubChem (CID 105007854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).