1-(4-chlorophenyl)-N-methoxypropan-2-amine;hydrochloride

C10H15Cl2NO — CID 24841286

IUPAC1-(4-chlorophenyl)-N-methoxypropan-2-amine;hydrochloride
SMILESCONC(C)Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C10H14ClNO.ClH/c1-8(12-13-2)7-9-3-5-10(11)6-4-9;/h3-6,8,12H,7H2,1-2H3;1H
InChIKeyFOIUMYIZJRIYAP-UHFFFAOYSA-N
MW236.14 g/mol
LogP2.84
Rot. Bonds4

About 1-(4-chlorophenyl)-N-methoxypropan-2-amine;hydrochloride

1-(4-chlorophenyl)-N-methoxypropan-2-amine;hydrochloride (PubChem CID 24841286) has the molecular formula C10H15Cl2NO and a molecular weight of 236.14 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methoxypropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methoxypropan-2-amine;hydrochloride
PubChem CID24841286
Molecular FormulaC10H15Cl2NO
Molecular Weight236.14 g/mol
Exact Mass235.05
IUPAC Name1-(4-chlorophenyl)-N-methoxypropan-2-amine;hydrochloride
SMILESCONC(C)Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C10H14ClNO.ClH/c1-8(12-13-2)7-9-3-5-10(11)6-4-9;/h3-6,8,12H,7H2,1-2H3;1H
InChIKeyFOIUMYIZJRIYAP-UHFFFAOYSA-N
XLogP2.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methoxypropan-2-amine;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-N-methoxypropan-2-amine;hydrochloride (CID 24841286) is 1-(4-chlorophenyl)-N-methoxypropan-2-amine;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methoxypropan-2-amine;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-N-methoxypropan-2-amine;hydrochloride is CONC(C)Cc1ccc(Cl)cc1.Cl.
What is the InChIKey of 1-(4-chlorophenyl)-N-methoxypropan-2-amine;hydrochloride?
The InChIKey is FOIUMYIZJRIYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO.ClH/c1-8(12-13-2)7-9-3-5-10(11)6-4-9;/h3-6,8,12H,7H2,1-2H3;1H.
What are the key properties of 1-(4-chlorophenyl)-N-methoxypropan-2-amine;hydrochloride?
1-(4-chlorophenyl)-N-methoxypropan-2-amine;hydrochloride has a molecular weight of 236.14 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methoxypropan-2-amine;hydrochloride is sourced from PubChem (CID 24841286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).