[4-[[(3,4-dibromophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]cyclohexyl]methanamine

C25H34Br2N2 — CID 10459391

IUPAC[4-[[(3,4-dibromophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
SMILESCc1cc(C)c(CN(Cc2ccc(Br)c(Br)c2)CC2CCC(CN)CC2)c(C)c1
InChIInChI=1S/C25H34Br2N2/c1-17-10-18(2)23(19(3)11-17)16-29(14-21-6-4-20(13-28)5-7-21)15-22-8-9-24(26)25(27)12-22/h8-12,20-21H,4-7,13-16,28H2,1-3H3
InChIKeyKZLYFVGGOZXOKL-UHFFFAOYSA-N
MW522.37 g/mol
LogP6.90
Rot. Bonds7

About [4-[[(3,4-dibromophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]cyclohexyl]methanamine

[4-[[(3,4-dibromophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]cyclohexyl]methanamine (PubChem CID 10459391) has the molecular formula C25H34Br2N2 and a molecular weight of 522.37 g/mol. Its IUPAC name is [4-[[(3,4-dibromophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[[(3,4-dibromophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
PubChem CID10459391
Molecular FormulaC25H34Br2N2
Molecular Weight522.37 g/mol
Exact Mass520.11
IUPAC Name[4-[[(3,4-dibromophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
SMILESCc1cc(C)c(CN(Cc2ccc(Br)c(Br)c2)CC2CCC(CN)CC2)c(C)c1
InChIInChI=1S/C25H34Br2N2/c1-17-10-18(2)23(19(3)11-17)16-29(14-21-6-4-20(13-28)5-7-21)15-22-8-9-24(26)25(27)12-22/h8-12,20-21H,4-7,13-16,28H2,1-3H3
InChIKeyKZLYFVGGOZXOKL-UHFFFAOYSA-N
XLogP6.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.37
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[[(3,4-dibromophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]cyclohexyl]methanamine with MolForge

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Related Compounds

[4-[[(3,4-dichlorophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]cyclohexyl]methanamine;2,2-difluoropropanal;ethane
CID 142934334
[4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934414
[4-[[bis[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine;ethanol
CID 142934441
[4-[[bis[(3-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine;propanoic acid
CID 142934541
[4-[[(4-chloro-3-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 142934245
[4-[[(4-bromophenyl)methyl-[(4-phenylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934313
[4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934507
[4-[[(3-bromophenyl)methyl-[(4-nitrophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 23739965
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine
CID 142934317
[4-[[cyclohexylmethyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934345
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-3,3-dimethylbutan-1-amine
CID 142934394
[4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 23795070

Frequently Asked Questions

What is the IUPAC name of [4-[[(3,4-dibromophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]cyclohexyl]methanamine?
The IUPAC name of [4-[[(3,4-dibromophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]cyclohexyl]methanamine (CID 10459391) is [4-[[(3,4-dibromophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[[(3,4-dibromophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[[(3,4-dibromophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]cyclohexyl]methanamine is Cc1cc(C)c(CN(Cc2ccc(Br)c(Br)c2)CC2CCC(CN)CC2)c(C)c1.
What is the InChIKey of [4-[[(3,4-dibromophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]cyclohexyl]methanamine?
The InChIKey is KZLYFVGGOZXOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34Br2N2/c1-17-10-18(2)23(19(3)11-17)16-29(14-21-6-4-20(13-28)5-7-21)15-22-8-9-24(26)25(27)12-22/h8-12,20-21H,4-7,13-16,28H2,1-3H3.
What are the key properties of [4-[[(3,4-dibromophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]cyclohexyl]methanamine?
[4-[[(3,4-dibromophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]cyclohexyl]methanamine has a molecular weight of 522.37 g/mol, XLogP of 6.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3,4-dibromophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]cyclohexyl]methanamine is sourced from PubChem (CID 10459391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).