[2-[1-(2,4-dibromophenyl)ethylamino]cyclopentyl]methanol

C14H19Br2NO — CID 103786074

IUPAC[2-[1-(2,4-dibromophenyl)ethylamino]cyclopentyl]methanol
SMILESCC(NC1CCCC1CO)c1ccc(Br)cc1Br
InChIInChI=1S/C14H19Br2NO/c1-9(12-6-5-11(15)7-13(12)16)17-14-4-2-3-10(14)8-18/h5-7,9-10,14,17-18H,2-4,8H2,1H3
InChIKeyKWOIBIPFTMISKI-UHFFFAOYSA-N
MW377.12 g/mol
LogP4.02
Rot. Bonds4

About [2-[1-(2,4-dibromophenyl)ethylamino]cyclopentyl]methanol

[2-[1-(2,4-dibromophenyl)ethylamino]cyclopentyl]methanol (PubChem CID 103786074) has the molecular formula C14H19Br2NO and a molecular weight of 377.12 g/mol. Its IUPAC name is [2-[1-(2,4-dibromophenyl)ethylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[1-(2,4-dibromophenyl)ethylamino]cyclopentyl]methanol
PubChem CID103786074
Molecular FormulaC14H19Br2NO
Molecular Weight377.12 g/mol
Exact Mass374.98
IUPAC Name[2-[1-(2,4-dibromophenyl)ethylamino]cyclopentyl]methanol
SMILESCC(NC1CCCC1CO)c1ccc(Br)cc1Br
InChIInChI=1S/C14H19Br2NO/c1-9(12-6-5-11(15)7-13(12)16)17-14-4-2-3-10(14)8-18/h5-7,9-10,14,17-18H,2-4,8H2,1H3
InChIKeyKWOIBIPFTMISKI-UHFFFAOYSA-N
XLogP4.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.12
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(2,4-dibromophenyl)ethylamino]cyclopentyl]methanol?
The IUPAC name of [2-[1-(2,4-dibromophenyl)ethylamino]cyclopentyl]methanol (CID 103786074) is [2-[1-(2,4-dibromophenyl)ethylamino]cyclopentyl]methanol.
What is the SMILES notation for [2-[1-(2,4-dibromophenyl)ethylamino]cyclopentyl]methanol?
The canonical SMILES for [2-[1-(2,4-dibromophenyl)ethylamino]cyclopentyl]methanol is CC(NC1CCCC1CO)c1ccc(Br)cc1Br.
What is the InChIKey of [2-[1-(2,4-dibromophenyl)ethylamino]cyclopentyl]methanol?
The InChIKey is KWOIBIPFTMISKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO/c1-9(12-6-5-11(15)7-13(12)16)17-14-4-2-3-10(14)8-18/h5-7,9-10,14,17-18H,2-4,8H2,1H3.
What are the key properties of [2-[1-(2,4-dibromophenyl)ethylamino]cyclopentyl]methanol?
[2-[1-(2,4-dibromophenyl)ethylamino]cyclopentyl]methanol has a molecular weight of 377.12 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2,4-dibromophenyl)ethylamino]cyclopentyl]methanol is sourced from PubChem (CID 103786074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).