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

C18H21Br2N — CID 63449322

IUPACN-[1-(2,4-dibromophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(C)NC(C)c2ccc(Br)cc2Br)c(C)c1
InChIInChI=1S/C18H21Br2N/c1-11-5-7-16(12(2)9-11)13(3)21-14(4)17-8-6-15(19)10-18(17)20/h5-10,13-14,21H,1-4H3
InChIKeyBGHSFDGSDYFUKL-UHFFFAOYSA-N
MW411.18 g/mol
LogP6.24
Rot. Bonds4

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

N-[1-(2,4-dibromophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine (PubChem CID 63449322) has the molecular formula C18H21Br2N and a molecular weight of 411.18 g/mol. Its IUPAC name is N-[1-(2,4-dibromophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(2,4-dibromophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
PubChem CID63449322
Molecular FormulaC18H21Br2N
Molecular Weight411.18 g/mol
Exact Mass409.00
IUPAC NameN-[1-(2,4-dibromophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(C)NC(C)c2ccc(Br)cc2Br)c(C)c1
InChIInChI=1S/C18H21Br2N/c1-11-5-7-16(12(2)9-11)13(3)21-14(4)17-8-6-15(19)10-18(17)20/h5-10,13-14,21H,1-4H3
InChIKeyBGHSFDGSDYFUKL-UHFFFAOYSA-N
XLogP6.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.18
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81375703
2,5-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43736793
2,4,6-tribromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 63425514
(2,4-dibromophenyl)-(2,4-dimethylphenyl)methanol
CID 107947470
2,4-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 107951625
N-[1-(2,4-dibromophenyl)ethyl]butan-2-amine
CID 60781142
(1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine
CID 81350273
3-bromo-N-[1-(2,4-dibromophenyl)ethyl]-5-methylaniline
CID 107582202
(2S)-2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutan-1-ol
CID 79250446
N-[1-(2,4-dichlorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 43105207
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 60944672
(1R)-1-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine
CID 81352684

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dibromophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine?
The IUPAC name of N-[1-(2,4-dibromophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine (CID 63449322) is N-[1-(2,4-dibromophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine.
What is the SMILES notation for N-[1-(2,4-dibromophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine?
The canonical SMILES for N-[1-(2,4-dibromophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine is Cc1ccc(C(C)NC(C)c2ccc(Br)cc2Br)c(C)c1.
What is the InChIKey of N-[1-(2,4-dibromophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine?
The InChIKey is BGHSFDGSDYFUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Br2N/c1-11-5-7-16(12(2)9-11)13(3)21-14(4)17-8-6-15(19)10-18(17)20/h5-10,13-14,21H,1-4H3.
What are the key properties of N-[1-(2,4-dibromophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine?
N-[1-(2,4-dibromophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine has a molecular weight of 411.18 g/mol, XLogP of 6.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dibromophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 63449322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).