3-(4-methylphenyl)oxetan-3-amine;hydrochloride

C10H14ClNO — CID 53257004

IUPAC3-(4-methylphenyl)oxetan-3-amine;hydrochloride
SMILESCc1ccc(C2(N)COC2)cc1.Cl
InChIInChI=1S/C10H13NO.ClH/c1-8-2-4-9(5-3-8)10(11)6-12-7-10;/h2-5H,6-7,11H2,1H3;1H
InChIKeyUKNASRDBASHMNC-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.60
Rot. Bonds1

About 3-(4-methylphenyl)oxetan-3-amine;hydrochloride

3-(4-methylphenyl)oxetan-3-amine;hydrochloride (PubChem CID 53257004) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 3-(4-methylphenyl)oxetan-3-amine;hydrochloride.

Molecular Properties

Compound Name3-(4-methylphenyl)oxetan-3-amine;hydrochloride
PubChem CID53257004
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name3-(4-methylphenyl)oxetan-3-amine;hydrochloride
SMILESCc1ccc(C2(N)COC2)cc1.Cl
InChIInChI=1S/C10H13NO.ClH/c1-8-2-4-9(5-3-8)10(11)6-12-7-10;/h2-5H,6-7,11H2,1H3;1H
InChIKeyUKNASRDBASHMNC-UHFFFAOYSA-N
XLogP1.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)oxetan-3-amine;hydrochloride?
The IUPAC name of 3-(4-methylphenyl)oxetan-3-amine;hydrochloride (CID 53257004) is 3-(4-methylphenyl)oxetan-3-amine;hydrochloride.
What is the SMILES notation for 3-(4-methylphenyl)oxetan-3-amine;hydrochloride?
The canonical SMILES for 3-(4-methylphenyl)oxetan-3-amine;hydrochloride is Cc1ccc(C2(N)COC2)cc1.Cl.
What is the InChIKey of 3-(4-methylphenyl)oxetan-3-amine;hydrochloride?
The InChIKey is UKNASRDBASHMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.ClH/c1-8-2-4-9(5-3-8)10(11)6-12-7-10;/h2-5H,6-7,11H2,1H3;1H.
What are the key properties of 3-(4-methylphenyl)oxetan-3-amine;hydrochloride?
3-(4-methylphenyl)oxetan-3-amine;hydrochloride has a molecular weight of 199.68 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)oxetan-3-amine;hydrochloride is sourced from PubChem (CID 53257004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).