N-(2-chloro-5-methoxyphenyl)-2-methyloxolan-3-amine

C12H16ClNO2 — CID 82727565

IUPACN-(2-chloro-5-methoxyphenyl)-2-methyloxolan-3-amine
SMILESCOc1ccc(Cl)c(NC2CCOC2C)c1
InChIInChI=1S/C12H16ClNO2/c1-8-11(5-6-16-8)14-12-7-9(15-2)3-4-10(12)13/h3-4,7-8,11,14H,5-6H2,1-2H3
InChIKeyQDNKZFLOLCIFER-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.94
Rot. Bonds3

About N-(2-chloro-5-methoxyphenyl)-2-methyloxolan-3-amine

N-(2-chloro-5-methoxyphenyl)-2-methyloxolan-3-amine (PubChem CID 82727565) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)-2-methyloxolan-3-amine
PubChem CID82727565
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-(2-chloro-5-methoxyphenyl)-2-methyloxolan-3-amine
SMILESCOc1ccc(Cl)c(NC2CCOC2C)c1
InChIInChI=1S/C12H16ClNO2/c1-8-11(5-6-16-8)14-12-7-9(15-2)3-4-10(12)13/h3-4,7-8,11,14H,5-6H2,1-2H3
InChIKeyQDNKZFLOLCIFER-UHFFFAOYSA-N
XLogP2.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-2-methyloxolan-3-amine?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)-2-methyloxolan-3-amine (CID 82727565) is N-(2-chloro-5-methoxyphenyl)-2-methyloxolan-3-amine.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-2-methyloxolan-3-amine?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-2-methyloxolan-3-amine is COc1ccc(Cl)c(NC2CCOC2C)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-2-methyloxolan-3-amine?
The InChIKey is QDNKZFLOLCIFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-8-11(5-6-16-8)14-12-7-9(15-2)3-4-10(12)13/h3-4,7-8,11,14H,5-6H2,1-2H3.
What are the key properties of N-(2-chloro-5-methoxyphenyl)-2-methyloxolan-3-amine?
N-(2-chloro-5-methoxyphenyl)-2-methyloxolan-3-amine has a molecular weight of 241.72 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)-2-methyloxolan-3-amine is sourced from PubChem (CID 82727565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).