1-methoxy-3-phenylpropan-2-amine;hydrochloride

C10H16ClNO — CID 18380372

IUPAC1-methoxy-3-phenylpropan-2-amine;hydrochloride
SMILESCOCC(N)Cc1ccccc1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-12-8-10(11)7-9-5-3-2-4-6-9;/h2-6,10H,7-8,11H2,1H3;1H
InChIKeyFTMKEFCCBFJBJI-UHFFFAOYSA-N
MW201.70 g/mol
LogP1.62
Rot. Bonds4

About 1-methoxy-3-phenylpropan-2-amine;hydrochloride

1-methoxy-3-phenylpropan-2-amine;hydrochloride (PubChem CID 18380372) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 1-methoxy-3-phenylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-methoxy-3-phenylpropan-2-amine;hydrochloride
PubChem CID18380372
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name1-methoxy-3-phenylpropan-2-amine;hydrochloride
SMILESCOCC(N)Cc1ccccc1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-12-8-10(11)7-9-5-3-2-4-6-9;/h2-6,10H,7-8,11H2,1H3;1H
InChIKeyFTMKEFCCBFJBJI-UHFFFAOYSA-N
XLogP1.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-phenylpropan-2-amine;hydrochloride?
The IUPAC name of 1-methoxy-3-phenylpropan-2-amine;hydrochloride (CID 18380372) is 1-methoxy-3-phenylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-methoxy-3-phenylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-methoxy-3-phenylpropan-2-amine;hydrochloride is COCC(N)Cc1ccccc1.Cl.
What is the InChIKey of 1-methoxy-3-phenylpropan-2-amine;hydrochloride?
The InChIKey is FTMKEFCCBFJBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-12-8-10(11)7-9-5-3-2-4-6-9;/h2-6,10H,7-8,11H2,1H3;1H.
What are the key properties of 1-methoxy-3-phenylpropan-2-amine;hydrochloride?
1-methoxy-3-phenylpropan-2-amine;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-phenylpropan-2-amine;hydrochloride is sourced from PubChem (CID 18380372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).