[1-(3-bromoanilino)-2,2-dimethylcyclopentyl]methanol

C14H20BrNO — CID 79862248

IUPAC[1-(3-bromoanilino)-2,2-dimethylcyclopentyl]methanol
SMILESCC1(C)CCCC1(CO)Nc1cccc(Br)c1
InChIInChI=1S/C14H20BrNO/c1-13(2)7-4-8-14(13,10-17)16-12-6-3-5-11(15)9-12/h3,5-6,9,16-17H,4,7-8,10H2,1-2H3
InChIKeyOQWHHOMXILYFLI-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.80
Rot. Bonds3

About [1-(3-bromoanilino)-2,2-dimethylcyclopentyl]methanol

[1-(3-bromoanilino)-2,2-dimethylcyclopentyl]methanol (PubChem CID 79862248) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is [1-(3-bromoanilino)-2,2-dimethylcyclopentyl]methanol.

Molecular Properties

Compound Name[1-(3-bromoanilino)-2,2-dimethylcyclopentyl]methanol
PubChem CID79862248
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name[1-(3-bromoanilino)-2,2-dimethylcyclopentyl]methanol
SMILESCC1(C)CCCC1(CO)Nc1cccc(Br)c1
InChIInChI=1S/C14H20BrNO/c1-13(2)7-4-8-14(13,10-17)16-12-6-3-5-11(15)9-12/h3,5-6,9,16-17H,4,7-8,10H2,1-2H3
InChIKeyOQWHHOMXILYFLI-UHFFFAOYSA-N
XLogP3.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3-bromoanilino)-2,2-dimethylcyclopentyl]methanol?
The IUPAC name of [1-(3-bromoanilino)-2,2-dimethylcyclopentyl]methanol (CID 79862248) is [1-(3-bromoanilino)-2,2-dimethylcyclopentyl]methanol.
What is the SMILES notation for [1-(3-bromoanilino)-2,2-dimethylcyclopentyl]methanol?
The canonical SMILES for [1-(3-bromoanilino)-2,2-dimethylcyclopentyl]methanol is CC1(C)CCCC1(CO)Nc1cccc(Br)c1.
What is the InChIKey of [1-(3-bromoanilino)-2,2-dimethylcyclopentyl]methanol?
The InChIKey is OQWHHOMXILYFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-13(2)7-4-8-14(13,10-17)16-12-6-3-5-11(15)9-12/h3,5-6,9,16-17H,4,7-8,10H2,1-2H3.
What are the key properties of [1-(3-bromoanilino)-2,2-dimethylcyclopentyl]methanol?
[1-(3-bromoanilino)-2,2-dimethylcyclopentyl]methanol has a molecular weight of 298.22 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromoanilino)-2,2-dimethylcyclopentyl]methanol is sourced from PubChem (CID 79862248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).