3-(2-bromoprop-2-enylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol

C14H18BrNO — CID 113429324

IUPAC3-(2-bromoprop-2-enylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
SMILESC=C(Br)CNC1CC(C)c2c(C)ccc(O)c21
InChIInChI=1S/C14H18BrNO/c1-8-4-5-12(17)14-11(16-7-10(3)15)6-9(2)13(8)14/h4-5,9,11,16-17H,3,6-7H2,1-2H3
InChIKeySAJSZUNKINGUTJ-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.75
Rot. Bonds3

About 3-(2-bromoprop-2-enylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol

3-(2-bromoprop-2-enylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol (PubChem CID 113429324) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 3-(2-bromoprop-2-enylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name3-(2-bromoprop-2-enylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
PubChem CID113429324
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name3-(2-bromoprop-2-enylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
SMILESC=C(Br)CNC1CC(C)c2c(C)ccc(O)c21
InChIInChI=1S/C14H18BrNO/c1-8-4-5-12(17)14-11(16-7-10(3)15)6-9(2)13(8)14/h4-5,9,11,16-17H,3,6-7H2,1-2H3
InChIKeySAJSZUNKINGUTJ-UHFFFAOYSA-N
XLogP3.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 3-(2-bromoprop-2-enylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]acetic acid
CID 43135104
2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 16777146
2-[(7-hydroxy-3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N,N-dimethylacetamide
CID 43310857
1,7-dimethyl-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-ol
CID 43189533
1,7-dimethyl-3-(3,3,3-trifluoropropylamino)-2,3-dihydro-1H-inden-4-ol
CID 63226189
3-(3-hydroxybutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 64913231
3-(2,3-dimethylbutylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 64568288
1,7-dimethyl-3-(pent-4-ynylamino)-2,3-dihydro-1H-inden-4-ol
CID 104582781
3-[2-(dimethylamino)propylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 54913530
1,7-dimethyl-3-[(2-methyl-2-methylsulfanylpropyl)amino]-2,3-dihydro-1H-inden-4-ol
CID 104582862
3-[2-[ethyl(methyl)amino]ethylamino]-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 62634150
3-(hex-5-ynylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
CID 104583386

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoprop-2-enylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 3-(2-bromoprop-2-enylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol (CID 113429324) is 3-(2-bromoprop-2-enylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 3-(2-bromoprop-2-enylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 3-(2-bromoprop-2-enylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol is C=C(Br)CNC1CC(C)c2c(C)ccc(O)c21.
What is the InChIKey of 3-(2-bromoprop-2-enylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The InChIKey is SAJSZUNKINGUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-8-4-5-12(17)14-11(16-7-10(3)15)6-9(2)13(8)14/h4-5,9,11,16-17H,3,6-7H2,1-2H3.
What are the key properties of 3-(2-bromoprop-2-enylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
3-(2-bromoprop-2-enylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol has a molecular weight of 296.21 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoprop-2-enylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 113429324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).