[2-(4-amino-2-bromoanilino)cyclopentyl]methanol

C12H17BrN2O — CID 106358958

IUPAC[2-(4-amino-2-bromoanilino)cyclopentyl]methanol
SMILESNc1ccc(NC2CCCC2CO)c(Br)c1
InChIInChI=1S/C12H17BrN2O/c13-10-6-9(14)4-5-12(10)15-11-3-1-2-8(11)7-16/h4-6,8,11,15-16H,1-3,7,14H2
InChIKeyCEOUTMWVRYZHOD-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.60
Rot. Bonds3

About [2-(4-amino-2-bromoanilino)cyclopentyl]methanol

[2-(4-amino-2-bromoanilino)cyclopentyl]methanol (PubChem CID 106358958) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is [2-(4-amino-2-bromoanilino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-(4-amino-2-bromoanilino)cyclopentyl]methanol
PubChem CID106358958
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name[2-(4-amino-2-bromoanilino)cyclopentyl]methanol
SMILESNc1ccc(NC2CCCC2CO)c(Br)c1
InChIInChI=1S/C12H17BrN2O/c13-10-6-9(14)4-5-12(10)15-11-3-1-2-8(11)7-16/h4-6,8,11,15-16H,1-3,7,14H2
InChIKeyCEOUTMWVRYZHOD-UHFFFAOYSA-N
XLogP2.60
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-amino-2-chloroanilino)cyclopentyl]methanol
CID 106359015
4-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzamide
CID 106358913
[2-(2-bromo-4-nitroanilino)cyclohexyl]methanol
CID 106362304
3-chloro-4-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid
CID 106364831
3-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-N,N-dimethylbenzamide
CID 106358993
[2-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol
CID 106358956
[2-(2-amino-5-methoxyanilino)cyclopentyl]methanol
CID 114178402
4-amino-2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid
CID 106358785
[2-[(5-amino-3-pyridinyl)amino]cyclopentyl]methanol
CID 106368070
2-bromo-1-N-(2,4-dimethylcyclohexyl)benzene-1,4-diamine
CID 63996256
4-[[2-(hydroxymethyl)cyclopentyl]amino]-3-nitrobenzamide
CID 103703671
4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113266858

Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-2-bromoanilino)cyclopentyl]methanol?
The IUPAC name of [2-(4-amino-2-bromoanilino)cyclopentyl]methanol (CID 106358958) is [2-(4-amino-2-bromoanilino)cyclopentyl]methanol.
What is the SMILES notation for [2-(4-amino-2-bromoanilino)cyclopentyl]methanol?
The canonical SMILES for [2-(4-amino-2-bromoanilino)cyclopentyl]methanol is Nc1ccc(NC2CCCC2CO)c(Br)c1.
What is the InChIKey of [2-(4-amino-2-bromoanilino)cyclopentyl]methanol?
The InChIKey is CEOUTMWVRYZHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c13-10-6-9(14)4-5-12(10)15-11-3-1-2-8(11)7-16/h4-6,8,11,15-16H,1-3,7,14H2.
What are the key properties of [2-(4-amino-2-bromoanilino)cyclopentyl]methanol?
[2-(4-amino-2-bromoanilino)cyclopentyl]methanol has a molecular weight of 285.19 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-2-bromoanilino)cyclopentyl]methanol is sourced from PubChem (CID 106358958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).