N-[(2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine

C17H18Br3N — CID 81473765

IUPACN-[(2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1Br)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C17H18Br3N/c1-3-8-21-17(12-6-4-5-7-14(12)18)13-10-15(19)11(2)9-16(13)20/h4-7,9-10,17,21H,3,8H2,1-2H3
InChIKeyHXYVBYPFJATCNL-UHFFFAOYSA-N
MW476.05 g/mol
LogP6.37
Rot. Bonds5

About N-[(2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine

N-[(2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine (PubChem CID 81473765) has the molecular formula C17H18Br3N and a molecular weight of 476.05 g/mol. Its IUPAC name is N-[(2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine
PubChem CID81473765
Molecular FormulaC17H18Br3N
Molecular Weight476.05 g/mol
Exact Mass472.90
IUPAC NameN-[(2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1Br)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C17H18Br3N/c1-3-8-21-17(12-6-4-5-7-14(12)18)13-10-15(19)11(2)9-16(13)20/h4-7,9-10,17,21H,3,8H2,1-2H3
InChIKeyHXYVBYPFJATCNL-UHFFFAOYSA-N
XLogP6.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.05
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromophenyl)-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine
CID 107513248
N-[(2-bromophenyl)-(2-chloro-4,5-dimethylphenyl)methyl]propan-1-amine
CID 115484144
N-[(5-bromo-4-methylthiophen-2-yl)-(2-bromophenyl)methyl]propan-1-amine
CID 79992525
N-[(3-bromo-2-fluorophenyl)-(2-bromophenyl)methyl]propan-1-amine
CID 106645447
N-[(2,5-dibromo-4-methylphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 81472787
N-[(4-bromo-3-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115794619
N-[(2-bromo-5-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 115827956
N-[(2-bromophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374411
N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]propan-1-amine
CID 43497591
N-[(2-bromo-4-fluorophenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine
CID 115850260
N-[(2-bromo-5-fluorophenyl)-(2,5-dibromo-4-methylphenyl)methyl]ethanamine
CID 81472919
N-[(2-bromophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 62491898

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine (CID 81473765) is N-[(2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccccc1Br)c1cc(Br)c(C)cc1Br.
What is the InChIKey of N-[(2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine?
The InChIKey is HXYVBYPFJATCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br3N/c1-3-8-21-17(12-6-4-5-7-14(12)18)13-10-15(19)11(2)9-16(13)20/h4-7,9-10,17,21H,3,8H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine?
N-[(2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine has a molecular weight of 476.05 g/mol, XLogP of 6.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 81473765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).