N-(2-chlorophenyl)oxan-2-amine

C11H14ClNO — CID 130014213

IUPACN-(2-chlorophenyl)oxan-2-amine
SMILESClc1ccccc1NC1CCCCO1
InChIInChI=1S/C11H14ClNO/c12-9-5-1-2-6-10(9)13-11-7-3-4-8-14-11/h1-2,5-6,11,13H,3-4,7-8H2
InChIKeyGBDJMCDZUQJJOU-UHFFFAOYSA-N
MW211.69 g/mol
LogP3.28
Rot. Bonds2

About N-(2-chlorophenyl)oxan-2-amine

N-(2-chlorophenyl)oxan-2-amine (PubChem CID 130014213) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is N-(2-chlorophenyl)oxan-2-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)oxan-2-amine
PubChem CID130014213
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC NameN-(2-chlorophenyl)oxan-2-amine
SMILESClc1ccccc1NC1CCCCO1
InChIInChI=1S/C11H14ClNO/c12-9-5-1-2-6-10(9)13-11-7-3-4-8-14-11/h1-2,5-6,11,13H,3-4,7-8H2
InChIKeyGBDJMCDZUQJJOU-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)oxan-2-amine?
The IUPAC name of N-(2-chlorophenyl)oxan-2-amine (CID 130014213) is N-(2-chlorophenyl)oxan-2-amine.
What is the SMILES notation for N-(2-chlorophenyl)oxan-2-amine?
The canonical SMILES for N-(2-chlorophenyl)oxan-2-amine is Clc1ccccc1NC1CCCCO1.
What is the InChIKey of N-(2-chlorophenyl)oxan-2-amine?
The InChIKey is GBDJMCDZUQJJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-9-5-1-2-6-10(9)13-11-7-3-4-8-14-11/h1-2,5-6,11,13H,3-4,7-8H2.
What are the key properties of N-(2-chlorophenyl)oxan-2-amine?
N-(2-chlorophenyl)oxan-2-amine has a molecular weight of 211.69 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)oxan-2-amine is sourced from PubChem (CID 130014213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).