2-[amino(ethyl)amino]-5-bromo-3-methoxy-6-methylaniline

C10H16BrN3O — CID 135142355

IUPAC2-[amino(ethyl)amino]-5-bromo-3-methoxy-6-methylaniline
SMILESCCN(N)c1c(OC)cc(Br)c(C)c1N
InChIInChI=1S/C10H16BrN3O/c1-4-14(13)10-8(15-3)5-7(11)6(2)9(10)12/h5H,4,12-13H2,1-3H3
InChIKeyCXFACVOAHPDBOS-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.05
Rot. Bonds3

About 2-[amino(ethyl)amino]-5-bromo-3-methoxy-6-methylaniline

2-[amino(ethyl)amino]-5-bromo-3-methoxy-6-methylaniline (PubChem CID 135142355) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-[amino(ethyl)amino]-5-bromo-3-methoxy-6-methylaniline.

Molecular Properties

Compound Name2-[amino(ethyl)amino]-5-bromo-3-methoxy-6-methylaniline
PubChem CID135142355
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name2-[amino(ethyl)amino]-5-bromo-3-methoxy-6-methylaniline
SMILESCCN(N)c1c(OC)cc(Br)c(C)c1N
InChIInChI=1S/C10H16BrN3O/c1-4-14(13)10-8(15-3)5-7(11)6(2)9(10)12/h5H,4,12-13H2,1-3H3
InChIKeyCXFACVOAHPDBOS-UHFFFAOYSA-N
XLogP2.05
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-bromo-4-methoxy-2,3-dimethylaniline
CID 151145179
1-ethyl-1-(2-methoxy-6-methylphenyl)hydrazine
CID 142488376
2-bromo-1-N,1-N-diethyl-5-methoxybenzene-1,4-diamine
CID 169490482
6-bromo-3-methoxy-2-methylaniline
CID 67280395
2-[amino(methyl)amino]-5-bromo-3-methoxyaniline
CID 144867461
3-amino-5-bromo-2,4-dimethylbenzaldehyde
CID 129108724
2-bromo-5-methoxy-3,6-dimethylaniline
CID 84736110
N,N-diethyl-2,5-dimethoxy-4-methylaniline
CID 59791351
4-ethyl-6-methoxy-3-methylbenzene-1,2-diamine
CID 135124005
3-bromo-5-methoxy-6-methylpyridin-2-amine
CID 130133402
2-bromo-6-methoxybenzene-1,4-diamine
CID 10889334
6-bromo-3-chloro-2,4-dimethoxyaniline
CID 58946772

Frequently Asked Questions

What is the IUPAC name of 2-[amino(ethyl)amino]-5-bromo-3-methoxy-6-methylaniline?
The IUPAC name of 2-[amino(ethyl)amino]-5-bromo-3-methoxy-6-methylaniline (CID 135142355) is 2-[amino(ethyl)amino]-5-bromo-3-methoxy-6-methylaniline.
What is the SMILES notation for 2-[amino(ethyl)amino]-5-bromo-3-methoxy-6-methylaniline?
The canonical SMILES for 2-[amino(ethyl)amino]-5-bromo-3-methoxy-6-methylaniline is CCN(N)c1c(OC)cc(Br)c(C)c1N.
What is the InChIKey of 2-[amino(ethyl)amino]-5-bromo-3-methoxy-6-methylaniline?
The InChIKey is CXFACVOAHPDBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-4-14(13)10-8(15-3)5-7(11)6(2)9(10)12/h5H,4,12-13H2,1-3H3.
What are the key properties of 2-[amino(ethyl)amino]-5-bromo-3-methoxy-6-methylaniline?
2-[amino(ethyl)amino]-5-bromo-3-methoxy-6-methylaniline has a molecular weight of 274.16 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(ethyl)amino]-5-bromo-3-methoxy-6-methylaniline is sourced from PubChem (CID 135142355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).