1-(2-bromo-4-chlorophenyl)-2-ethoxyethanamine

C10H13BrClNO — CID 107994199

IUPAC1-(2-bromo-4-chlorophenyl)-2-ethoxyethanamine
SMILESCCOCC(N)c1ccc(Cl)cc1Br
InChIInChI=1S/C10H13BrClNO/c1-2-14-6-10(13)8-4-3-7(12)5-9(8)11/h3-5,10H,2,6,13H2,1H3
InChIKeyUOTYHENJQQDXBV-UHFFFAOYSA-N
MW278.58 g/mol
LogP3.14
Rot. Bonds4

About 1-(2-bromo-4-chlorophenyl)-2-ethoxyethanamine

1-(2-bromo-4-chlorophenyl)-2-ethoxyethanamine (PubChem CID 107994199) has the molecular formula C10H13BrClNO and a molecular weight of 278.58 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-2-ethoxyethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-2-ethoxyethanamine
PubChem CID107994199
Molecular FormulaC10H13BrClNO
Molecular Weight278.58 g/mol
Exact Mass276.99
IUPAC Name1-(2-bromo-4-chlorophenyl)-2-ethoxyethanamine
SMILESCCOCC(N)c1ccc(Cl)cc1Br
InChIInChI=1S/C10H13BrClNO/c1-2-14-6-10(13)8-4-3-7(12)5-9(8)11/h3-5,10H,2,6,13H2,1H3
InChIKeyUOTYHENJQQDXBV-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-bromo-4-chlorophenyl)-3-fluoropropan-1-amine
CID 131362641
1-(2-bromo-4-chlorophenyl)octan-1-amine
CID 107992453
1-(2-bromo-4-chlorophenyl)-4-methylpentan-1-amine
CID 103947027
1-(3-bromo-2-chlorophenyl)-2-ethoxyethanamine
CID 105007829
(1S)-1-(2-bromo-4-chlorophenyl)butane-1,4-diamine;hydrochloride
CID 171223334
diethyl 2-(2-bromo-4-chlorophenyl)propanedioate
CID 177019430
1-(2-bromo-4-chlorophenyl)but-3-en-1-amine
CID 103692971
(1R)-1-(2-bromo-4-chlorophenyl)but-3-en-1-amine
CID 131092271
(1S)-1-(2-bromo-4-chlorophenyl)but-3-en-1-amine
CID 130783678
(1S)-1-(2-bromo-4-chlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313001
(1S)-1-(2-bromo-4-chlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171223347
ethyl (3R)-3-amino-3-(2-bromo-4-chlorophenyl)-2-fluoropropanoate;hydrochloride
CID 171240944

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-ethoxyethanamine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-ethoxyethanamine (CID 107994199) is 1-(2-bromo-4-chlorophenyl)-2-ethoxyethanamine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-2-ethoxyethanamine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-2-ethoxyethanamine is CCOCC(N)c1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-2-ethoxyethanamine?
The InChIKey is UOTYHENJQQDXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO/c1-2-14-6-10(13)8-4-3-7(12)5-9(8)11/h3-5,10H,2,6,13H2,1H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-2-ethoxyethanamine?
1-(2-bromo-4-chlorophenyl)-2-ethoxyethanamine has a molecular weight of 278.58 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-2-ethoxyethanamine is sourced from PubChem (CID 107994199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).