1-(2-amino-3,3-dimethylcyclopentyl)-7-bromo-6-fluoro-2,2-dimethyl-3H-inden-1-ol

C18H25BrFNO — CID 58951003

IUPAC1-(2-amino-3,3-dimethylcyclopentyl)-7-bromo-6-fluoro-2,2-dimethyl-3H-inden-1-ol
SMILESCC1(C)CCC(C2(O)c3c(ccc(F)c3Br)CC2(C)C)C1N
InChIInChI=1S/C18H25BrFNO/c1-16(2)8-7-11(15(16)21)18(22)13-10(9-17(18,3)4)5-6-12(20)14(13)19/h5-6,11,15,22H,7-9,21H2,1-4H3
InChIKeyDLSBYHIAJAYHCG-UHFFFAOYSA-N
MW370.31 g/mol
LogP4.12
Rot. Bonds1

About 1-(2-amino-3,3-dimethylcyclopentyl)-7-bromo-6-fluoro-2,2-dimethyl-3H-inden-1-ol

1-(2-amino-3,3-dimethylcyclopentyl)-7-bromo-6-fluoro-2,2-dimethyl-3H-inden-1-ol (PubChem CID 58951003) has the molecular formula C18H25BrFNO and a molecular weight of 370.31 g/mol. Its IUPAC name is 1-(2-amino-3,3-dimethylcyclopentyl)-7-bromo-6-fluoro-2,2-dimethyl-3H-inden-1-ol.

Molecular Properties

Compound Name1-(2-amino-3,3-dimethylcyclopentyl)-7-bromo-6-fluoro-2,2-dimethyl-3H-inden-1-ol
PubChem CID58951003
Molecular FormulaC18H25BrFNO
Molecular Weight370.31 g/mol
Exact Mass369.11
IUPAC Name1-(2-amino-3,3-dimethylcyclopentyl)-7-bromo-6-fluoro-2,2-dimethyl-3H-inden-1-ol
SMILESCC1(C)CCC(C2(O)c3c(ccc(F)c3Br)CC2(C)C)C1N
InChIInChI=1S/C18H25BrFNO/c1-16(2)8-7-11(15(16)21)18(22)13-10(9-17(18,3)4)5-6-12(20)14(13)19/h5-6,11,15,22H,7-9,21H2,1-4H3
InChIKeyDLSBYHIAJAYHCG-UHFFFAOYSA-N
XLogP4.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-amino-3,3-dimethylcyclopentyl)-7-bromo-6-fluoro-2,2-dimethyl-3H-inden-1-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

7-bromo-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11638985
7-bromo-4-fluoro-2,2-dimethyl-1-piperidin-4-yl-3H-inden-1-ol
CID 58951092
1-(2-aminocyclopentyl)-6-fluoro-2,2,7-trimethyl-3H-inden-1-ol
CID 71187915
7-bromo-6-fluoro-2,2-dimethyl-1-[(E)-3-methyloct-6-en-3-yl]-3H-inden-1-ol
CID 71187920
1-[1-(Aminomethyl)-3-methylcyclopentyl]-4-fluoro-2,3-dihydroinden-1-ol
CID 83069117
1-[1-(Aminomethyl)-3-ethylcyclopentyl]-4-fluoro-2,3-dihydroinden-1-ol
CID 83069519
3-Amino-1-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
CID 107089564
3-Amino-1-[(2-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
CID 107089729
3-Amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
CID 107089730
3-Amino-1-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
CID 107089743
3-Amino-1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
CID 107089827
3-Amino-1-[(2-bromo-3-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
CID 107089831

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3,3-dimethylcyclopentyl)-7-bromo-6-fluoro-2,2-dimethyl-3H-inden-1-ol?
The IUPAC name of 1-(2-amino-3,3-dimethylcyclopentyl)-7-bromo-6-fluoro-2,2-dimethyl-3H-inden-1-ol (CID 58951003) is 1-(2-amino-3,3-dimethylcyclopentyl)-7-bromo-6-fluoro-2,2-dimethyl-3H-inden-1-ol.
What is the SMILES notation for 1-(2-amino-3,3-dimethylcyclopentyl)-7-bromo-6-fluoro-2,2-dimethyl-3H-inden-1-ol?
The canonical SMILES for 1-(2-amino-3,3-dimethylcyclopentyl)-7-bromo-6-fluoro-2,2-dimethyl-3H-inden-1-ol is CC1(C)CCC(C2(O)c3c(ccc(F)c3Br)CC2(C)C)C1N.
What is the InChIKey of 1-(2-amino-3,3-dimethylcyclopentyl)-7-bromo-6-fluoro-2,2-dimethyl-3H-inden-1-ol?
The InChIKey is DLSBYHIAJAYHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrFNO/c1-16(2)8-7-11(15(16)21)18(22)13-10(9-17(18,3)4)5-6-12(20)14(13)19/h5-6,11,15,22H,7-9,21H2,1-4H3.
What are the key properties of 1-(2-amino-3,3-dimethylcyclopentyl)-7-bromo-6-fluoro-2,2-dimethyl-3H-inden-1-ol?
1-(2-amino-3,3-dimethylcyclopentyl)-7-bromo-6-fluoro-2,2-dimethyl-3H-inden-1-ol has a molecular weight of 370.31 g/mol, XLogP of 4.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3,3-dimethylcyclopentyl)-7-bromo-6-fluoro-2,2-dimethyl-3H-inden-1-ol is sourced from PubChem (CID 58951003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).