4-bromo-2-N-(cyclopropylmethyl)-2-N-propan-2-ylbenzene-1,2-diamine

C13H19BrN2 — CID 65342336

IUPAC4-bromo-2-N-(cyclopropylmethyl)-2-N-propan-2-ylbenzene-1,2-diamine
SMILESCC(C)N(CC1CC1)c1cc(Br)ccc1N
InChIInChI=1S/C13H19BrN2/c1-9(2)16(8-10-3-4-10)13-7-11(14)5-6-12(13)15/h5-7,9-10H,3-4,8,15H2,1-2H3
InChIKeyYQHWENYBWMCPSE-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.66
Rot. Bonds4

About 4-bromo-2-N-(cyclopropylmethyl)-2-N-propan-2-ylbenzene-1,2-diamine

4-bromo-2-N-(cyclopropylmethyl)-2-N-propan-2-ylbenzene-1,2-diamine (PubChem CID 65342336) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 4-bromo-2-N-(cyclopropylmethyl)-2-N-propan-2-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-(cyclopropylmethyl)-2-N-propan-2-ylbenzene-1,2-diamine
PubChem CID65342336
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name4-bromo-2-N-(cyclopropylmethyl)-2-N-propan-2-ylbenzene-1,2-diamine
SMILESCC(C)N(CC1CC1)c1cc(Br)ccc1N
InChIInChI=1S/C13H19BrN2/c1-9(2)16(8-10-3-4-10)13-7-11(14)5-6-12(13)15/h5-7,9-10H,3-4,8,15H2,1-2H3
InChIKeyYQHWENYBWMCPSE-UHFFFAOYSA-N
XLogP3.66
TPSA29.26 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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-propan-2-ylaniline
CID 107082009
3-bromo-8-N-(cyclopropylmethyl)-8-N-propan-2-ylquinoline-5,8-diamine
CID 106949222
5-bromo-2-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-propan-2-ylaniline
CID 63550636
5-N-(cyclopropylmethyl)-5-N-propan-2-ylisoquinoline-5,8-diamine
CID 55001589
4-bromo-2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine
CID 65343671
4-bromo-1-N-(cyclopropylmethyl)-1-N-methylbenzene-1,2-diamine
CID 60985000
3-amino-4-[cyclopropylmethyl(propan-2-yl)amino]benzoic acid
CID 55000222
2-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 79722133
2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline
CID 55235070
4-bromo-2-N-cyclopropyl-2-N-ethylbenzene-1,2-diamine
CID 65343619
2-(1-aminoethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline
CID 82967886
2-bromo-6-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 114883197

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-(cyclopropylmethyl)-2-N-propan-2-ylbenzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-(cyclopropylmethyl)-2-N-propan-2-ylbenzene-1,2-diamine (CID 65342336) is 4-bromo-2-N-(cyclopropylmethyl)-2-N-propan-2-ylbenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-(cyclopropylmethyl)-2-N-propan-2-ylbenzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-(cyclopropylmethyl)-2-N-propan-2-ylbenzene-1,2-diamine is CC(C)N(CC1CC1)c1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-N-(cyclopropylmethyl)-2-N-propan-2-ylbenzene-1,2-diamine?
The InChIKey is YQHWENYBWMCPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-9(2)16(8-10-3-4-10)13-7-11(14)5-6-12(13)15/h5-7,9-10H,3-4,8,15H2,1-2H3.
What are the key properties of 4-bromo-2-N-(cyclopropylmethyl)-2-N-propan-2-ylbenzene-1,2-diamine?
4-bromo-2-N-(cyclopropylmethyl)-2-N-propan-2-ylbenzene-1,2-diamine has a molecular weight of 283.21 g/mol, XLogP of 3.66, 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-(cyclopropylmethyl)-2-N-propan-2-ylbenzene-1,2-diamine is sourced from PubChem (CID 65342336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).