N'-(2-aminoethyl)-2,2-bis[(2-bromophenyl)methyl]propane-1,3-diamine

C19H25Br2N3 — CID 155539555

IUPACN'-(2-aminoethyl)-2,2-bis[(2-bromophenyl)methyl]propane-1,3-diamine
SMILESNCCNCC(CN)(Cc1ccccc1Br)Cc1ccccc1Br
InChIInChI=1S/C19H25Br2N3/c20-17-7-3-1-5-15(17)11-19(13-23,14-24-10-9-22)12-16-6-2-4-8-18(16)21/h1-8,24H,9-14,22-23H2
InChIKeyFTJCIUASGJLQAR-UHFFFAOYSA-N
MW455.24 g/mol
LogP3.49
Rot. Bonds9

About N'-(2-aminoethyl)-2,2-bis[(2-bromophenyl)methyl]propane-1,3-diamine

N'-(2-aminoethyl)-2,2-bis[(2-bromophenyl)methyl]propane-1,3-diamine (PubChem CID 155539555) has the molecular formula C19H25Br2N3 and a molecular weight of 455.24 g/mol. Its IUPAC name is N'-(2-aminoethyl)-2,2-bis[(2-bromophenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-2,2-bis[(2-bromophenyl)methyl]propane-1,3-diamine
PubChem CID155539555
Molecular FormulaC19H25Br2N3
Molecular Weight455.24 g/mol
Exact Mass453.04
IUPAC NameN'-(2-aminoethyl)-2,2-bis[(2-bromophenyl)methyl]propane-1,3-diamine
SMILESNCCNCC(CN)(Cc1ccccc1Br)Cc1ccccc1Br
InChIInChI=1S/C19H25Br2N3/c20-17-7-3-1-5-15(17)11-19(13-23,14-24-10-9-22)12-16-6-2-4-8-18(16)21/h1-8,24H,9-14,22-23H2
InChIKeyFTJCIUASGJLQAR-UHFFFAOYSA-N
XLogP3.49
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.24
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-2,2-bis[(2-bromophenyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-(2-aminoethyl)-2,2-bis[(2-bromophenyl)methyl]propane-1,3-diamine (CID 155539555) is N'-(2-aminoethyl)-2,2-bis[(2-bromophenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-2,2-bis[(2-bromophenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-(2-aminoethyl)-2,2-bis[(2-bromophenyl)methyl]propane-1,3-diamine is NCCNCC(CN)(Cc1ccccc1Br)Cc1ccccc1Br.
What is the InChIKey of N'-(2-aminoethyl)-2,2-bis[(2-bromophenyl)methyl]propane-1,3-diamine?
The InChIKey is FTJCIUASGJLQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Br2N3/c20-17-7-3-1-5-15(17)11-19(13-23,14-24-10-9-22)12-16-6-2-4-8-18(16)21/h1-8,24H,9-14,22-23H2.
What are the key properties of N'-(2-aminoethyl)-2,2-bis[(2-bromophenyl)methyl]propane-1,3-diamine?
N'-(2-aminoethyl)-2,2-bis[(2-bromophenyl)methyl]propane-1,3-diamine has a molecular weight of 455.24 g/mol, XLogP of 3.49, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-2,2-bis[(2-bromophenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 155539555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).