1-(3,5-dibromophenyl)-2-(4-ethylphenyl)ethanamine

C16H17Br2N — CID 107973873

IUPAC1-(3,5-dibromophenyl)-2-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(CC(N)c2cc(Br)cc(Br)c2)cc1
InChIInChI=1S/C16H17Br2N/c1-2-11-3-5-12(6-4-11)7-16(19)13-8-14(17)10-15(18)9-13/h3-6,8-10,16H,2,7,19H2,1H3
InChIKeyQUPIDSWCYOQZAT-UHFFFAOYSA-N
MW383.13 g/mol
LogP5.02
Rot. Bonds4

About 1-(3,5-dibromophenyl)-2-(4-ethylphenyl)ethanamine

1-(3,5-dibromophenyl)-2-(4-ethylphenyl)ethanamine (PubChem CID 107973873) has the molecular formula C16H17Br2N and a molecular weight of 383.13 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)-2-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)-2-(4-ethylphenyl)ethanamine
PubChem CID107973873
Molecular FormulaC16H17Br2N
Molecular Weight383.13 g/mol
Exact Mass380.97
IUPAC Name1-(3,5-dibromophenyl)-2-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(CC(N)c2cc(Br)cc(Br)c2)cc1
InChIInChI=1S/C16H17Br2N/c1-2-11-3-5-12(6-4-11)7-16(19)13-8-14(17)10-15(18)9-13/h3-6,8-10,16H,2,7,19H2,1H3
InChIKeyQUPIDSWCYOQZAT-UHFFFAOYSA-N
XLogP5.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.13
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3,5-dibromophenyl)-2-(4-ethylphenyl)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-(3,5-dibromophenyl)-2-(4-methylphenyl)ethanamine
CID 107973615
1-(4-bromo-2,6-difluorophenyl)-2-(4-ethylphenyl)ethanamine
CID 115803938
1-(3-bromo-5-methylphenyl)-2-(4-fluorophenyl)ethanamine
CID 104853137
2-(3-bromo-4-methoxyphenyl)-1-(3,5-dibromophenyl)ethanamine
CID 107974001
1-(3,5-dibromophenyl)propan-1-amine
CID 91121714
2-(4-ethylphenyl)-1-(4-iodophenyl)ethanamine
CID 115802841
1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61079421
1-(3-bromo-5-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79748010
2-(4-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 24697978
1-(3-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 113460856
2-(4-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 81323419
2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 115803330

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)-2-(4-ethylphenyl)ethanamine?
The IUPAC name of 1-(3,5-dibromophenyl)-2-(4-ethylphenyl)ethanamine (CID 107973873) is 1-(3,5-dibromophenyl)-2-(4-ethylphenyl)ethanamine.
What is the SMILES notation for 1-(3,5-dibromophenyl)-2-(4-ethylphenyl)ethanamine?
The canonical SMILES for 1-(3,5-dibromophenyl)-2-(4-ethylphenyl)ethanamine is CCc1ccc(CC(N)c2cc(Br)cc(Br)c2)cc1.
What is the InChIKey of 1-(3,5-dibromophenyl)-2-(4-ethylphenyl)ethanamine?
The InChIKey is QUPIDSWCYOQZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2N/c1-2-11-3-5-12(6-4-11)7-16(19)13-8-14(17)10-15(18)9-13/h3-6,8-10,16H,2,7,19H2,1H3.
What are the key properties of 1-(3,5-dibromophenyl)-2-(4-ethylphenyl)ethanamine?
1-(3,5-dibromophenyl)-2-(4-ethylphenyl)ethanamine has a molecular weight of 383.13 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)-2-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 107973873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).