1-(3-bromo-4-chlorophenyl)-N-ethyl-2-propan-2-yloxyethanamine

C13H19BrClNO — CID 113337160

IUPAC1-(3-bromo-4-chlorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H19BrClNO/c1-4-16-13(8-17-9(2)3)10-5-6-12(15)11(14)7-10/h5-7,9,13,16H,4,8H2,1-3H3
InChIKeyNGFBTAFGKVTCOZ-UHFFFAOYSA-N
MW320.66 g/mol
LogP4.18
Rot. Bonds6

About 1-(3-bromo-4-chlorophenyl)-N-ethyl-2-propan-2-yloxyethanamine

1-(3-bromo-4-chlorophenyl)-N-ethyl-2-propan-2-yloxyethanamine (PubChem CID 113337160) has the molecular formula C13H19BrClNO and a molecular weight of 320.66 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-N-ethyl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
PubChem CID113337160
Molecular FormulaC13H19BrClNO
Molecular Weight320.66 g/mol
Exact Mass319.03
IUPAC Name1-(3-bromo-4-chlorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H19BrClNO/c1-4-16-13(8-17-9(2)3)10-5-6-12(15)11(14)7-10/h5-7,9,13,16H,4,8H2,1-3H3
InChIKeyNGFBTAFGKVTCOZ-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.66
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105013094
1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79575549
1-(3-bromo-4-chlorophenyl)-N-ethylbutan-1-amine
CID 115567637
1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79574237
1-(3-bromo-4-chlorophenyl)-2-cyclopentyl-N-ethylethanamine
CID 113337189
1-(3-bromo-4-chlorophenyl)-N-ethyloctan-1-amine
CID 115567420
N-[1-(4-chloro-3-methylphenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 105013219
1-(3-bromo-4-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 107988800
1-(4-bromo-3-chlorophenyl)-2-ethoxy-N-ethylethanamine
CID 105007854
N-[1-(3-bromo-4-methoxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 105013061
N-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine
CID 79573891
1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115567661

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-N-ethyl-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-N-ethyl-2-propan-2-yloxyethanamine (CID 113337160) is 1-(3-bromo-4-chlorophenyl)-N-ethyl-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-N-ethyl-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-N-ethyl-2-propan-2-yloxyethanamine is CCNC(COC(C)C)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-N-ethyl-2-propan-2-yloxyethanamine?
The InChIKey is NGFBTAFGKVTCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClNO/c1-4-16-13(8-17-9(2)3)10-5-6-12(15)11(14)7-10/h5-7,9,13,16H,4,8H2,1-3H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-N-ethyl-2-propan-2-yloxyethanamine?
1-(3-bromo-4-chlorophenyl)-N-ethyl-2-propan-2-yloxyethanamine has a molecular weight of 320.66 g/mol, XLogP of 4.18, 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-propan-2-yloxyethanamine is sourced from PubChem (CID 113337160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).