[1-(3-bromoanilino)-3-ethylcyclopentyl]methanol

C14H20BrNO — CID 64514311

IUPAC[1-(3-bromoanilino)-3-ethylcyclopentyl]methanol
SMILESCCC1CCC(CO)(Nc2cccc(Br)c2)C1
InChIInChI=1S/C14H20BrNO/c1-2-11-6-7-14(9-11,10-17)16-13-5-3-4-12(15)8-13/h3-5,8,11,16-17H,2,6-7,9-10H2,1H3
InChIKeyFAYHSYPYPMMHLW-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.80
Rot. Bonds4

About [1-(3-bromoanilino)-3-ethylcyclopentyl]methanol

[1-(3-bromoanilino)-3-ethylcyclopentyl]methanol (PubChem CID 64514311) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is [1-(3-bromoanilino)-3-ethylcyclopentyl]methanol.

Molecular Properties

Compound Name[1-(3-bromoanilino)-3-ethylcyclopentyl]methanol
PubChem CID64514311
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name[1-(3-bromoanilino)-3-ethylcyclopentyl]methanol
SMILESCCC1CCC(CO)(Nc2cccc(Br)c2)C1
InChIInChI=1S/C14H20BrNO/c1-2-11-6-7-14(9-11,10-17)16-13-5-3-4-12(15)8-13/h3-5,8,11,16-17H,2,6-7,9-10H2,1H3
InChIKeyFAYHSYPYPMMHLW-UHFFFAOYSA-N
XLogP3.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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)-3-ethylcyclopentyl]methanol?
The IUPAC name of [1-(3-bromoanilino)-3-ethylcyclopentyl]methanol (CID 64514311) is [1-(3-bromoanilino)-3-ethylcyclopentyl]methanol.
What is the SMILES notation for [1-(3-bromoanilino)-3-ethylcyclopentyl]methanol?
The canonical SMILES for [1-(3-bromoanilino)-3-ethylcyclopentyl]methanol is CCC1CCC(CO)(Nc2cccc(Br)c2)C1.
What is the InChIKey of [1-(3-bromoanilino)-3-ethylcyclopentyl]methanol?
The InChIKey is FAYHSYPYPMMHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-2-11-6-7-14(9-11,10-17)16-13-5-3-4-12(15)8-13/h3-5,8,11,16-17H,2,6-7,9-10H2,1H3.
What are the key properties of [1-(3-bromoanilino)-3-ethylcyclopentyl]methanol?
[1-(3-bromoanilino)-3-ethylcyclopentyl]methanol has a molecular weight of 298.22 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromoanilino)-3-ethylcyclopentyl]methanol is sourced from PubChem (CID 64514311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).