1-(5-bromo-2-ethoxyphenyl)-2-(3-chlorophenyl)ethanamine

C16H17BrClNO — CID 63507981

IUPAC1-(5-bromo-2-ethoxyphenyl)-2-(3-chlorophenyl)ethanamine
SMILESCCOc1ccc(Br)cc1C(N)Cc1cccc(Cl)c1
InChIInChI=1S/C16H17BrClNO/c1-2-20-16-7-6-12(17)10-14(16)15(19)9-11-4-3-5-13(18)8-11/h3-8,10,15H,2,9,19H2,1H3
InChIKeyBYGAHCRBSCCRNW-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.74
Rot. Bonds5

About 1-(5-bromo-2-ethoxyphenyl)-2-(3-chlorophenyl)ethanamine

1-(5-bromo-2-ethoxyphenyl)-2-(3-chlorophenyl)ethanamine (PubChem CID 63507981) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is 1-(5-bromo-2-ethoxyphenyl)-2-(3-chlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-ethoxyphenyl)-2-(3-chlorophenyl)ethanamine
PubChem CID63507981
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name1-(5-bromo-2-ethoxyphenyl)-2-(3-chlorophenyl)ethanamine
SMILESCCOc1ccc(Br)cc1C(N)Cc1cccc(Cl)c1
InChIInChI=1S/C16H17BrClNO/c1-2-20-16-7-6-12(17)10-14(16)15(19)9-11-4-3-5-13(18)8-11/h3-8,10,15H,2,9,19H2,1H3
InChIKeyBYGAHCRBSCCRNW-UHFFFAOYSA-N
XLogP4.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-2-ethoxyphenyl)-2-(3-chlorophenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-2-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine
CID 43311411
1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938
(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171226068
(2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol
CID 66515336
(1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3-phenylpropan-2-ol
CID 171262949
4-bromo-2-(1-bromo-2-phenylethyl)-1-ethoxybenzene
CID 63443048
(5-bromo-2-ethoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 43311401
3-(3-chlorophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974508
N-[(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methyl]ethanamine
CID 43493554
2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 55135517
3-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid
CID 53417383
2-(3-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 63412142

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-2-(3-chlorophenyl)ethanamine?
The IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-2-(3-chlorophenyl)ethanamine (CID 63507981) is 1-(5-bromo-2-ethoxyphenyl)-2-(3-chlorophenyl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-ethoxyphenyl)-2-(3-chlorophenyl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-ethoxyphenyl)-2-(3-chlorophenyl)ethanamine is CCOc1ccc(Br)cc1C(N)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(5-bromo-2-ethoxyphenyl)-2-(3-chlorophenyl)ethanamine?
The InChIKey is BYGAHCRBSCCRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-2-20-16-7-6-12(17)10-14(16)15(19)9-11-4-3-5-13(18)8-11/h3-8,10,15H,2,9,19H2,1H3.
What are the key properties of 1-(5-bromo-2-ethoxyphenyl)-2-(3-chlorophenyl)ethanamine?
1-(5-bromo-2-ethoxyphenyl)-2-(3-chlorophenyl)ethanamine has a molecular weight of 354.68 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-ethoxyphenyl)-2-(3-chlorophenyl)ethanamine is sourced from PubChem (CID 63507981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).