N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine

C17H20BrNO — CID 2199869

IUPACN-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine
SMILESBrc1c(OCCNC2CCCC2)ccc2ccccc12
InChIInChI=1S/C17H20BrNO/c18-17-15-8-4-1-5-13(15)9-10-16(17)20-12-11-19-14-6-2-3-7-14/h1,4-5,8-10,14,19H,2-3,6-7,11-12H2
InChIKeyHDAMJFSTYVQHPL-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.51
Rot. Bonds5

About N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine

N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine (PubChem CID 2199869) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine
PubChem CID2199869
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine
SMILESBrc1c(OCCNC2CCCC2)ccc2ccccc12
InChIInChI=1S/C17H20BrNO/c18-17-15-8-4-1-5-13(15)9-10-16(17)20-12-11-19-14-6-2-3-7-14/h1,4-5,8-10,14,19H,2-3,6-7,11-12H2
InChIKeyHDAMJFSTYVQHPL-UHFFFAOYSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine?
The IUPAC name of N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine (CID 2199869) is N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine.
What is the SMILES notation for N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine?
The canonical SMILES for N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine is Brc1c(OCCNC2CCCC2)ccc2ccccc12.
What is the InChIKey of N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine?
The InChIKey is HDAMJFSTYVQHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c18-17-15-8-4-1-5-13(15)9-10-16(17)20-12-11-19-14-6-2-3-7-14/h1,4-5,8-10,14,19H,2-3,6-7,11-12H2.
What are the key properties of N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine?
N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine has a molecular weight of 334.26 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine is sourced from PubChem (CID 2199869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).