2-bromo-1-N,1-N-diethyl-5-methoxybenzene-1,4-diamine

C11H17BrN2O — CID 169490482

IUPAC2-bromo-1-N,1-N-diethyl-5-methoxybenzene-1,4-diamine
SMILESCCN(CC)c1cc(OC)c(N)cc1Br
InChIInChI=1S/C11H17BrN2O/c1-4-14(5-2)10-7-11(15-3)9(13)6-8(10)12/h6-7H,4-5,13H2,1-3H3
InChIKeyHBAITGOVAKASOB-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.89
Rot. Bonds4

About 2-bromo-1-N,1-N-diethyl-5-methoxybenzene-1,4-diamine

2-bromo-1-N,1-N-diethyl-5-methoxybenzene-1,4-diamine (PubChem CID 169490482) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 2-bromo-1-N,1-N-diethyl-5-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name2-bromo-1-N,1-N-diethyl-5-methoxybenzene-1,4-diamine
PubChem CID169490482
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name2-bromo-1-N,1-N-diethyl-5-methoxybenzene-1,4-diamine
SMILESCCN(CC)c1cc(OC)c(N)cc1Br
InChIInChI=1S/C11H17BrN2O/c1-4-14(5-2)10-7-11(15-3)9(13)6-8(10)12/h6-7H,4-5,13H2,1-3H3
InChIKeyHBAITGOVAKASOB-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-ethyl-2-methoxy-4-N,5-dimethylbenzene-1,4-diamine
CID 130542259
3-(4-amino-N-ethyl-2-fluoro-5-methoxyanilino)propanenitrile
CID 107259021
2-bromo-N,N-diethyl-4,5-dimethoxyaniline;N-methylcyclopentanamine
CID 20979596
5-bromo-4-chloro-2-methoxyaniline
CID 75537158
5-bromo-2-methoxy-4-phosphanylaniline
CID 170176312
N,N-diethyl-2,5-dimethoxy-4-methylaniline
CID 59791351
2-chloro-5-methoxy-1-N,1-N-dimethylbenzene-1,4-diamine
CID 54032840
2-bromo-1-N-ethyl-5-methyl-1-N-(2-methylbutyl)benzene-1,4-diamine
CID 114048289
2-fluoro-5-methoxy-1-N-methyl-1-N-pentan-3-ylbenzene-1,4-diamine
CID 107258820
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine
CID 102991178
4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine
CID 68606067
2-N-(cyclobutylmethyl)-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine
CID 107397091

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-N,1-N-diethyl-5-methoxybenzene-1,4-diamine?
The IUPAC name of 2-bromo-1-N,1-N-diethyl-5-methoxybenzene-1,4-diamine (CID 169490482) is 2-bromo-1-N,1-N-diethyl-5-methoxybenzene-1,4-diamine.
What is the SMILES notation for 2-bromo-1-N,1-N-diethyl-5-methoxybenzene-1,4-diamine?
The canonical SMILES for 2-bromo-1-N,1-N-diethyl-5-methoxybenzene-1,4-diamine is CCN(CC)c1cc(OC)c(N)cc1Br.
What is the InChIKey of 2-bromo-1-N,1-N-diethyl-5-methoxybenzene-1,4-diamine?
The InChIKey is HBAITGOVAKASOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-4-14(5-2)10-7-11(15-3)9(13)6-8(10)12/h6-7H,4-5,13H2,1-3H3.
What are the key properties of 2-bromo-1-N,1-N-diethyl-5-methoxybenzene-1,4-diamine?
2-bromo-1-N,1-N-diethyl-5-methoxybenzene-1,4-diamine has a molecular weight of 273.17 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-N,1-N-diethyl-5-methoxybenzene-1,4-diamine is sourced from PubChem (CID 169490482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).