N-[2-(2-bromophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine

C13H21BrN2 — CID 115206611

IUPACN-[2-(2-bromophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNCCc1ccccc1Br
InChIInChI=1S/C13H21BrN2/c1-11(2)16-10-9-15-8-7-12-5-3-4-6-13(12)14/h3-6,11,15-16H,7-10H2,1-2H3
InChIKeyOWVUGPHMIAVEHZ-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.58
Rot. Bonds7

About N-[2-(2-bromophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine

N-[2-(2-bromophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine (PubChem CID 115206611) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
PubChem CID115206611
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC NameN-[2-(2-bromophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNCCc1ccccc1Br
InChIInChI=1S/C13H21BrN2/c1-11(2)16-10-9-15-8-7-12-5-3-4-6-13(12)14/h3-6,11,15-16H,7-10H2,1-2H3
InChIKeyOWVUGPHMIAVEHZ-UHFFFAOYSA-N
XLogP2.58
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-bromophenyl)ethyl]-N-methylmethanediamine
CID 115227263
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
2-(2-bromophenyl)-N-(chloromethyl)ethanamine
CID 115263436
2-(2-bromophenyl)-N-methylethanamine
CID 11964124
N-[2-(2-bromophenyl)ethyl]propane-2-sulfonamide
CID 48945854
N-[2-(1-benzofuran-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206607
1-(2-bromophenyl)-5-(propan-2-ylamino)pentan-2-one
CID 116558152
3-[2-(2-bromophenyl)ethylamino]propane-1,2-diol
CID 115122367
N-[2-(2,5-dichlorophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 113405304
(2-bromophenyl)methyl 3-(propan-2-ylamino)propanoate
CID 82824277
N-[(2-aminophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 106703486

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-[2-(2-bromophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine (CID 115206611) is N-[2-(2-bromophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-[2-(2-bromophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-[2-(2-bromophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine is CC(C)NCCNCCc1ccccc1Br.
What is the InChIKey of N-[2-(2-bromophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is OWVUGPHMIAVEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-11(2)16-10-9-15-8-7-12-5-3-4-6-13(12)14/h3-6,11,15-16H,7-10H2,1-2H3.
What are the key properties of N-[2-(2-bromophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine?
N-[2-(2-bromophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 285.23 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 115206611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).