2-(2,6-dibromo-4-methylanilino)-1-methylcyclopentan-1-ol

C13H17Br2NO — CID 112745878

IUPAC2-(2,6-dibromo-4-methylanilino)-1-methylcyclopentan-1-ol
SMILESCc1cc(Br)c(NC2CCCC2(C)O)c(Br)c1
InChIInChI=1S/C13H17Br2NO/c1-8-6-9(14)12(10(15)7-8)16-11-4-3-5-13(11,2)17/h6-7,11,16-17H,3-5H2,1-2H3
InChIKeyMZBCVNPRBFGEMS-UHFFFAOYSA-N
MW363.09 g/mol
LogP4.24
Rot. Bonds2

About 2-(2,6-dibromo-4-methylanilino)-1-methylcyclopentan-1-ol

2-(2,6-dibromo-4-methylanilino)-1-methylcyclopentan-1-ol (PubChem CID 112745878) has the molecular formula C13H17Br2NO and a molecular weight of 363.09 g/mol. Its IUPAC name is 2-(2,6-dibromo-4-methylanilino)-1-methylcyclopentan-1-ol.

Molecular Properties

Compound Name2-(2,6-dibromo-4-methylanilino)-1-methylcyclopentan-1-ol
PubChem CID112745878
Molecular FormulaC13H17Br2NO
Molecular Weight363.09 g/mol
Exact Mass360.97
IUPAC Name2-(2,6-dibromo-4-methylanilino)-1-methylcyclopentan-1-ol
SMILESCc1cc(Br)c(NC2CCCC2(C)O)c(Br)c1
InChIInChI=1S/C13H17Br2NO/c1-8-6-9(14)12(10(15)7-8)16-11-4-3-5-13(11,2)17/h6-7,11,16-17H,3-5H2,1-2H3
InChIKeyMZBCVNPRBFGEMS-UHFFFAOYSA-N
XLogP4.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.09
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2,6-dibromo-4-methylanilino)-1-methylcyclopentan-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

2-bromo-N-(2,2-dimethylcyclopentyl)-4-methylaniline
CID 79864735
6-bromo-4-[(2-hydroxy-2-methylcyclopentyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77468213
2-[(2,2-dimethylcyclobutyl)amino]-1-methylcyclopentan-1-ol
CID 130555925
N-(2,6-dibromo-4-methylphenyl)thian-4-amine
CID 43511376
trans-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]-1-methylcyclohexan-1-ol
CID 171545291
N-(2,6-dibromo-4-methylphenyl)oxetan-3-amine
CID 63623093
2,6-dibromo-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline
CID 63425329
cis-(1R,2R)-2-(ethylamino)-1-methylcyclopentan-1-ol
CID 166556336
N-(2,6-dibromo-4-methylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79902165
2-chloro-4-[(2-hydroxy-2-methylcyclopentyl)amino]-3-methylbenzonitrile
CID 78105364
2-cyclopropyl-1-(2,6-dibromo-4-methylphenyl)guanidine
CID 62379049
1-carbamothioyl-N-(2,6-dibromo-4-methylphenyl)cyclobutane-1-carboxamide
CID 80592110

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromo-4-methylanilino)-1-methylcyclopentan-1-ol?
The IUPAC name of 2-(2,6-dibromo-4-methylanilino)-1-methylcyclopentan-1-ol (CID 112745878) is 2-(2,6-dibromo-4-methylanilino)-1-methylcyclopentan-1-ol.
What is the SMILES notation for 2-(2,6-dibromo-4-methylanilino)-1-methylcyclopentan-1-ol?
The canonical SMILES for 2-(2,6-dibromo-4-methylanilino)-1-methylcyclopentan-1-ol is Cc1cc(Br)c(NC2CCCC2(C)O)c(Br)c1.
What is the InChIKey of 2-(2,6-dibromo-4-methylanilino)-1-methylcyclopentan-1-ol?
The InChIKey is MZBCVNPRBFGEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO/c1-8-6-9(14)12(10(15)7-8)16-11-4-3-5-13(11,2)17/h6-7,11,16-17H,3-5H2,1-2H3.
What are the key properties of 2-(2,6-dibromo-4-methylanilino)-1-methylcyclopentan-1-ol?
2-(2,6-dibromo-4-methylanilino)-1-methylcyclopentan-1-ol has a molecular weight of 363.09 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromo-4-methylanilino)-1-methylcyclopentan-1-ol is sourced from PubChem (CID 112745878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).