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

C10H12ClNO2 — CID 63622923

IUPACN-(2-chloro-5-methoxyphenyl)oxetan-3-amine
SMILESCOc1ccc(Cl)c(NC2COC2)c1
InChIInChI=1S/C10H12ClNO2/c1-13-8-2-3-9(11)10(4-8)12-7-5-14-6-7/h2-4,7,12H,5-6H2,1H3
InChIKeyOXEKLBPHPXCZSW-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.16
Rot. Bonds3

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

N-(2-chloro-5-methoxyphenyl)oxetan-3-amine (PubChem CID 63622923) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)oxetan-3-amine.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)oxetan-3-amine
PubChem CID63622923
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC NameN-(2-chloro-5-methoxyphenyl)oxetan-3-amine
SMILESCOc1ccc(Cl)c(NC2COC2)c1
InChIInChI=1S/C10H12ClNO2/c1-13-8-2-3-9(11)10(4-8)12-7-5-14-6-7/h2-4,7,12H,5-6H2,1H3
InChIKeyOXEKLBPHPXCZSW-UHFFFAOYSA-N
XLogP2.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.16
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)oxetan-3-amine?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)oxetan-3-amine (CID 63622923) is N-(2-chloro-5-methoxyphenyl)oxetan-3-amine.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)oxetan-3-amine?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)oxetan-3-amine is COc1ccc(Cl)c(NC2COC2)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)oxetan-3-amine?
The InChIKey is OXEKLBPHPXCZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-13-8-2-3-9(11)10(4-8)12-7-5-14-6-7/h2-4,7,12H,5-6H2,1H3.
What are the key properties of N-(2-chloro-5-methoxyphenyl)oxetan-3-amine?
N-(2-chloro-5-methoxyphenyl)oxetan-3-amine has a molecular weight of 213.66 g/mol, XLogP of 2.16, 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)oxetan-3-amine is sourced from PubChem (CID 63622923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).