[1-(3-bromoanilino)-2-methylcyclopentyl]methanol

C13H18BrNO — CID 65050219

IUPAC[1-(3-bromoanilino)-2-methylcyclopentyl]methanol
SMILESCC1CCCC1(CO)Nc1cccc(Br)c1
InChIInChI=1S/C13H18BrNO/c1-10-4-3-7-13(10,9-16)15-12-6-2-5-11(14)8-12/h2,5-6,8,10,15-16H,3-4,7,9H2,1H3
InChIKeyZMAYPXDZQLELQQ-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.41
Rot. Bonds3

About [1-(3-bromoanilino)-2-methylcyclopentyl]methanol

[1-(3-bromoanilino)-2-methylcyclopentyl]methanol (PubChem CID 65050219) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is [1-(3-bromoanilino)-2-methylcyclopentyl]methanol.

Molecular Properties

Compound Name[1-(3-bromoanilino)-2-methylcyclopentyl]methanol
PubChem CID65050219
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name[1-(3-bromoanilino)-2-methylcyclopentyl]methanol
SMILESCC1CCCC1(CO)Nc1cccc(Br)c1
InChIInChI=1S/C13H18BrNO/c1-10-4-3-7-13(10,9-16)15-12-6-2-5-11(14)8-12/h2,5-6,8,10,15-16H,3-4,7,9H2,1H3
InChIKeyZMAYPXDZQLELQQ-UHFFFAOYSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3-bromoanilino)-2-methylcyclopentyl]methanol?
The IUPAC name of [1-(3-bromoanilino)-2-methylcyclopentyl]methanol (CID 65050219) is [1-(3-bromoanilino)-2-methylcyclopentyl]methanol.
What is the SMILES notation for [1-(3-bromoanilino)-2-methylcyclopentyl]methanol?
The canonical SMILES for [1-(3-bromoanilino)-2-methylcyclopentyl]methanol is CC1CCCC1(CO)Nc1cccc(Br)c1.
What is the InChIKey of [1-(3-bromoanilino)-2-methylcyclopentyl]methanol?
The InChIKey is ZMAYPXDZQLELQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-10-4-3-7-13(10,9-16)15-12-6-2-5-11(14)8-12/h2,5-6,8,10,15-16H,3-4,7,9H2,1H3.
What are the key properties of [1-(3-bromoanilino)-2-methylcyclopentyl]methanol?
[1-(3-bromoanilino)-2-methylcyclopentyl]methanol has a molecular weight of 284.20 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromoanilino)-2-methylcyclopentyl]methanol is sourced from PubChem (CID 65050219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).