4-bromo-2-N-(1-cyclopropylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine

C13H19BrN2 — CID 43746274

IUPAC4-bromo-2-N-(1-cyclopropylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCC(Nc1cc(Br)ccc1N(C)C)C1CC1
InChIInChI=1S/C13H19BrN2/c1-9(10-4-5-10)15-12-8-11(14)6-7-13(12)16(2)3/h6-10,15H,4-5H2,1-3H3
InChIKeyPCLKLYYAINTIOJ-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.73
Rot. Bonds4

About 4-bromo-2-N-(1-cyclopropylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine

4-bromo-2-N-(1-cyclopropylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine (PubChem CID 43746274) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 4-bromo-2-N-(1-cyclopropylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-(1-cyclopropylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
PubChem CID43746274
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name4-bromo-2-N-(1-cyclopropylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCC(Nc1cc(Br)ccc1N(C)C)C1CC1
InChIInChI=1S/C13H19BrN2/c1-9(10-4-5-10)15-12-8-11(14)6-7-13(12)16(2)3/h6-10,15H,4-5H2,1-3H3
InChIKeyPCLKLYYAINTIOJ-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-N-(1-cyclohexylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43791142
4-bromo-2-N-(1,1-difluoropropan-2-yl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 102868983
2,5-dibromo-N-(1-cyclohexylethyl)aniline
CID 43789277
2-[5-bromo-2-(dimethylamino)anilino]propanoic acid
CID 66174739
5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline
CID 63424276
4-bromo-2-N-cyclohexyl-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43746246
4-bromo-N-(1-cyclopentylethyl)-2-methylaniline
CID 63418980
2-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol
CID 107710730
4-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]phenol
CID 43746258
5-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol
CID 107705933
4-bromo-N-(1-cyclopropylethyl)aniline
CID 43194534
5-bromo-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43729427

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-(1-cyclopropylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-(1-cyclopropylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine (CID 43746274) is 4-bromo-2-N-(1-cyclopropylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-(1-cyclopropylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-(1-cyclopropylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine is CC(Nc1cc(Br)ccc1N(C)C)C1CC1.
What is the InChIKey of 4-bromo-2-N-(1-cyclopropylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine?
The InChIKey is PCLKLYYAINTIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-9(10-4-5-10)15-12-8-11(14)6-7-13(12)16(2)3/h6-10,15H,4-5H2,1-3H3.
What are the key properties of 4-bromo-2-N-(1-cyclopropylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine?
4-bromo-2-N-(1-cyclopropylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine has a molecular weight of 283.21 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-(1-cyclopropylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 43746274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).