1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine

C17H19Br2N — CID 81375703

IUPAC1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
SMILESCc1ccccc1[C@H](C)NC(C)c1ccc(Br)cc1Br
InChIInChI=1S/C17H19Br2N/c1-11-6-4-5-7-15(11)12(2)20-13(3)16-9-8-14(18)10-17(16)19/h4-10,12-13,20H,1-3H3/t12-,13?/m0/s1
InChIKeyCKSHBOPBXOOGNX-UEWDXFNNSA-N
MW397.15 g/mol
LogP5.93
Rot. Bonds4

About 1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine

1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine (PubChem CID 81375703) has the molecular formula C17H19Br2N and a molecular weight of 397.15 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
PubChem CID81375703
Molecular FormulaC17H19Br2N
Molecular Weight397.15 g/mol
Exact Mass394.99
IUPAC Name1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
SMILESCc1ccccc1[C@H](C)NC(C)c1ccc(Br)cc1Br
InChIInChI=1S/C17H19Br2N/c1-11-6-4-5-7-15(11)12(2)20-13(3)16-9-8-14(18)10-17(16)19/h4-10,12-13,20H,1-3H3/t12-,13?/m0/s1
InChIKeyCKSHBOPBXOOGNX-UEWDXFNNSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.15
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]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

N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81382927
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81378592
N-[1-(2,4-dibromophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 63449322
1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine
CID 81373795
1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 43203219
(1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81382647
(1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine
CID 81391306
(1S)-1-(2-bromophenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine
CID 81379135
N-[1-(2,4-dibromophenyl)ethyl]butan-2-amine
CID 60781142
4-bromo-2-[1-[1-(2-methylphenyl)ethylamino]propyl]phenol
CID 43203242
N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 104652135
(2S)-2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutan-1-ol
CID 79250446

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine?
The IUPAC name of 1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine (CID 81375703) is 1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine is Cc1ccccc1[C@H](C)NC(C)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine?
The InChIKey is CKSHBOPBXOOGNX-UEWDXFNNSA-N. The full InChI is InChI=1S/C17H19Br2N/c1-11-6-4-5-7-15(11)12(2)20-13(3)16-9-8-14(18)10-17(16)19/h4-10,12-13,20H,1-3H3/t12-,13?/m0/s1.
What are the key properties of 1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine?
1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine has a molecular weight of 397.15 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine is sourced from PubChem (CID 81375703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).