[1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol

C15H21BrFNO — CID 79138155

IUPAC[1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol
SMILESCCC1CCC(CN)(C(O)c2ccc(F)c(Br)c2)C1
InChIInChI=1S/C15H21BrFNO/c1-2-10-5-6-15(8-10,9-18)14(19)11-3-4-13(17)12(16)7-11/h3-4,7,10,14,19H,2,5-6,8-9,18H2,1H3
InChIKeyVRKQUURMIVMIDQ-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.78
Rot. Bonds4

About [1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol

[1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol (PubChem CID 79138155) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is [1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol
PubChem CID79138155
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name[1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol
SMILESCCC1CCC(CN)(C(O)c2ccc(F)c(Br)c2)C1
InChIInChI=1S/C15H21BrFNO/c1-2-10-5-6-15(8-10,9-18)14(19)11-3-4-13(17)12(16)7-11/h3-4,7,10,14,19H,2,5-6,8-9,18H2,1H3
InChIKeyVRKQUURMIVMIDQ-UHFFFAOYSA-N
XLogP3.78
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol?
The IUPAC name of [1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol (CID 79138155) is [1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol is CCC1CCC(CN)(C(O)c2ccc(F)c(Br)c2)C1.
What is the InChIKey of [1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol?
The InChIKey is VRKQUURMIVMIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-2-10-5-6-15(8-10,9-18)14(19)11-3-4-13(17)12(16)7-11/h3-4,7,10,14,19H,2,5-6,8-9,18H2,1H3.
What are the key properties of [1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol?
[1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol has a molecular weight of 330.24 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-fluorophenyl)methanol is sourced from PubChem (CID 79138155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).