1-(2-methylphenoxy)propan-2-amine;hydrochloride

C10H16ClNO — CID 69263906

IUPAC1-(2-methylphenoxy)propan-2-amine;hydrochloride
SMILESCc1ccccc1OCC(C)N.Cl
InChIInChI=1S/C10H15NO.ClH/c1-8-5-3-4-6-10(8)12-7-9(2)11;/h3-6,9H,7,11H2,1-2H3;1H
InChIKeyQIJGZAUWGRQVAQ-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.14
Rot. Bonds3

About 1-(2-methylphenoxy)propan-2-amine;hydrochloride

1-(2-methylphenoxy)propan-2-amine;hydrochloride (PubChem CID 69263906) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 1-(2-methylphenoxy)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-methylphenoxy)propan-2-amine;hydrochloride
PubChem CID69263906
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name1-(2-methylphenoxy)propan-2-amine;hydrochloride
SMILESCc1ccccc1OCC(C)N.Cl
InChIInChI=1S/C10H15NO.ClH/c1-8-5-3-4-6-10(8)12-7-9(2)11;/h3-6,9H,7,11H2,1-2H3;1H
InChIKeyQIJGZAUWGRQVAQ-UHFFFAOYSA-N
XLogP2.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenoxy)propan-2-amine;hydrochloride?
The IUPAC name of 1-(2-methylphenoxy)propan-2-amine;hydrochloride (CID 69263906) is 1-(2-methylphenoxy)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(2-methylphenoxy)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(2-methylphenoxy)propan-2-amine;hydrochloride is Cc1ccccc1OCC(C)N.Cl.
What is the InChIKey of 1-(2-methylphenoxy)propan-2-amine;hydrochloride?
The InChIKey is QIJGZAUWGRQVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-8-5-3-4-6-10(8)12-7-9(2)11;/h3-6,9H,7,11H2,1-2H3;1H.
What are the key properties of 1-(2-methylphenoxy)propan-2-amine;hydrochloride?
1-(2-methylphenoxy)propan-2-amine;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenoxy)propan-2-amine;hydrochloride is sourced from PubChem (CID 69263906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).