[1-(2-amino-5-bromophenyl)cyclopentyl]methanol

C12H16BrNO — CID 67061217

IUPAC[1-(2-amino-5-bromophenyl)cyclopentyl]methanol
SMILESNc1ccc(Br)cc1C1(CO)CCCC1
InChIInChI=1S/C12H16BrNO/c13-9-3-4-11(14)10(7-9)12(8-15)5-1-2-6-12/h3-4,7,15H,1-2,5-6,8,14H2
InChIKeyPEKCTTXGDXBPET-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.84
Rot. Bonds2

About [1-(2-amino-5-bromophenyl)cyclopentyl]methanol

[1-(2-amino-5-bromophenyl)cyclopentyl]methanol (PubChem CID 67061217) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is [1-(2-amino-5-bromophenyl)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(2-amino-5-bromophenyl)cyclopentyl]methanol
PubChem CID67061217
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name[1-(2-amino-5-bromophenyl)cyclopentyl]methanol
SMILESNc1ccc(Br)cc1C1(CO)CCCC1
InChIInChI=1S/C12H16BrNO/c13-9-3-4-11(14)10(7-9)12(8-15)5-1-2-6-12/h3-4,7,15H,1-2,5-6,8,14H2
InChIKeyPEKCTTXGDXBPET-UHFFFAOYSA-N
XLogP2.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-5-bromophenyl)cyclopentyl]methanol?
The IUPAC name of [1-(2-amino-5-bromophenyl)cyclopentyl]methanol (CID 67061217) is [1-(2-amino-5-bromophenyl)cyclopentyl]methanol.
What is the SMILES notation for [1-(2-amino-5-bromophenyl)cyclopentyl]methanol?
The canonical SMILES for [1-(2-amino-5-bromophenyl)cyclopentyl]methanol is Nc1ccc(Br)cc1C1(CO)CCCC1.
What is the InChIKey of [1-(2-amino-5-bromophenyl)cyclopentyl]methanol?
The InChIKey is PEKCTTXGDXBPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-9-3-4-11(14)10(7-9)12(8-15)5-1-2-6-12/h3-4,7,15H,1-2,5-6,8,14H2.
What are the key properties of [1-(2-amino-5-bromophenyl)cyclopentyl]methanol?
[1-(2-amino-5-bromophenyl)cyclopentyl]methanol has a molecular weight of 270.17 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-5-bromophenyl)cyclopentyl]methanol is sourced from PubChem (CID 67061217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).