N-cyclopentyloxy-1-(2,5-dichlorophenyl)methanamine

C12H15Cl2NO — CID 83235836

IUPACN-cyclopentyloxy-1-(2,5-dichlorophenyl)methanamine
SMILESClc1ccc(Cl)c(CNOC2CCCC2)c1
InChIInChI=1S/C12H15Cl2NO/c13-10-5-6-12(14)9(7-10)8-15-16-11-3-1-2-4-11/h5-7,11,15H,1-4,8H2
InChIKeyITVFWZARBDBCJX-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.96
Rot. Bonds4

About N-cyclopentyloxy-1-(2,5-dichlorophenyl)methanamine

N-cyclopentyloxy-1-(2,5-dichlorophenyl)methanamine (PubChem CID 83235836) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is N-cyclopentyloxy-1-(2,5-dichlorophenyl)methanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-(2,5-dichlorophenyl)methanamine
PubChem CID83235836
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC NameN-cyclopentyloxy-1-(2,5-dichlorophenyl)methanamine
SMILESClc1ccc(Cl)c(CNOC2CCCC2)c1
InChIInChI=1S/C12H15Cl2NO/c13-10-5-6-12(14)9(7-10)8-15-16-11-3-1-2-4-11/h5-7,11,15H,1-4,8H2
InChIKeyITVFWZARBDBCJX-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-(2,5-dichlorophenyl)methanamine?
The IUPAC name of N-cyclopentyloxy-1-(2,5-dichlorophenyl)methanamine (CID 83235836) is N-cyclopentyloxy-1-(2,5-dichlorophenyl)methanamine.
What is the SMILES notation for N-cyclopentyloxy-1-(2,5-dichlorophenyl)methanamine?
The canonical SMILES for N-cyclopentyloxy-1-(2,5-dichlorophenyl)methanamine is Clc1ccc(Cl)c(CNOC2CCCC2)c1.
What is the InChIKey of N-cyclopentyloxy-1-(2,5-dichlorophenyl)methanamine?
The InChIKey is ITVFWZARBDBCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-10-5-6-12(14)9(7-10)8-15-16-11-3-1-2-4-11/h5-7,11,15H,1-4,8H2.
What are the key properties of N-cyclopentyloxy-1-(2,5-dichlorophenyl)methanamine?
N-cyclopentyloxy-1-(2,5-dichlorophenyl)methanamine has a molecular weight of 260.16 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-(2,5-dichlorophenyl)methanamine is sourced from PubChem (CID 83235836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).