N'-(4-bromophenyl)-N-ethyl-N'-methylethane-1,2-diamine

C11H17BrN2 — CID 115205674

IUPACN'-(4-bromophenyl)-N-ethyl-N'-methylethane-1,2-diamine
SMILESCCNCCN(C)c1ccc(Br)cc1
InChIInChI=1S/C11H17BrN2/c1-3-13-8-9-14(2)11-6-4-10(12)5-7-11/h4-7,13H,3,8-9H2,1-2H3
InChIKeyOSJZTQZCPBTZDC-UHFFFAOYSA-N
MW257.18 g/mol
LogP2.49
Rot. Bonds5

About N'-(4-bromophenyl)-N-ethyl-N'-methylethane-1,2-diamine

N'-(4-bromophenyl)-N-ethyl-N'-methylethane-1,2-diamine (PubChem CID 115205674) has the molecular formula C11H17BrN2 and a molecular weight of 257.18 g/mol. Its IUPAC name is N'-(4-bromophenyl)-N-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-bromophenyl)-N-ethyl-N'-methylethane-1,2-diamine
PubChem CID115205674
Molecular FormulaC11H17BrN2
Molecular Weight257.18 g/mol
Exact Mass256.06
IUPAC NameN'-(4-bromophenyl)-N-ethyl-N'-methylethane-1,2-diamine
SMILESCCNCCN(C)c1ccc(Br)cc1
InChIInChI=1S/C11H17BrN2/c1-3-13-8-9-14(2)11-6-4-10(12)5-7-11/h4-7,13H,3,8-9H2,1-2H3
InChIKeyOSJZTQZCPBTZDC-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-ethenylphenyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 145320752
N'-(4-bromophenyl)-N,N'-dimethylbutane-1,4-diamine
CID 115201768
N-ethyl-N'-methyl-N'-[4-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 62586005
N-ethyl-N'-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 115205672
N-ethyl-N'-(4-ethylphenyl)-N'-methylpentane-1,5-diamine
CID 62434760
N'-(4-ethylphenyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62003417
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-ethyl-N'-methylethane-1,2-diamine
CID 115205692
N'-[(4-bromophenyl)methyl]-N-ethyl-N'-methylbutane-1,4-diamine
CID 62412779
1-N-(4-bromophenyl)-1-N-methylbutane-1,3-diamine
CID 115199107
N-[(4-bromothiophen-2-yl)methyl]-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 55089292
N'-(3-bromo-4-methyl-2-pyridinyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 106878733
1-(4-bromophenyl)-3-[2-(N,4-dimethylanilino)ethyl]thiourea
CID 100753736

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)-N-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(4-bromophenyl)-N-ethyl-N'-methylethane-1,2-diamine (CID 115205674) is N'-(4-bromophenyl)-N-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(4-bromophenyl)-N-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(4-bromophenyl)-N-ethyl-N'-methylethane-1,2-diamine is CCNCCN(C)c1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromophenyl)-N-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is OSJZTQZCPBTZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-3-13-8-9-14(2)11-6-4-10(12)5-7-11/h4-7,13H,3,8-9H2,1-2H3.
What are the key properties of N'-(4-bromophenyl)-N-ethyl-N'-methylethane-1,2-diamine?
N'-(4-bromophenyl)-N-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 257.18 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)-N-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 115205674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).