(1S)-2-methoxy-1-phenylethanamine;hydrochloride

C9H14ClNO — CID 70182818

IUPAC(1S)-2-methoxy-1-phenylethanamine;hydrochloride
SMILESCOC[C@@H](N)c1ccccc1.Cl
InChIInChI=1S/C9H13NO.ClH/c1-11-7-9(10)8-5-3-2-4-6-8;/h2-6,9H,7,10H2,1H3;1H/t9-;/m1./s1
InChIKeyDLMKXYXAHHMDJR-SBSPUUFOSA-N
MW187.67 g/mol
LogP1.75
Rot. Bonds3

About (1S)-2-methoxy-1-phenylethanamine;hydrochloride

(1S)-2-methoxy-1-phenylethanamine;hydrochloride (PubChem CID 70182818) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is (1S)-2-methoxy-1-phenylethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-2-methoxy-1-phenylethanamine;hydrochloride
PubChem CID70182818
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name(1S)-2-methoxy-1-phenylethanamine;hydrochloride
SMILESCOC[C@@H](N)c1ccccc1.Cl
InChIInChI=1S/C9H13NO.ClH/c1-11-7-9(10)8-5-3-2-4-6-8;/h2-6,9H,7,10H2,1H3;1H/t9-;/m1./s1
InChIKeyDLMKXYXAHHMDJR-SBSPUUFOSA-N
XLogP1.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-methoxy-1-phenylethanamine;hydrochloride?
The IUPAC name of (1S)-2-methoxy-1-phenylethanamine;hydrochloride (CID 70182818) is (1S)-2-methoxy-1-phenylethanamine;hydrochloride.
What is the SMILES notation for (1S)-2-methoxy-1-phenylethanamine;hydrochloride?
The canonical SMILES for (1S)-2-methoxy-1-phenylethanamine;hydrochloride is COC[C@@H](N)c1ccccc1.Cl.
What is the InChIKey of (1S)-2-methoxy-1-phenylethanamine;hydrochloride?
The InChIKey is DLMKXYXAHHMDJR-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H13NO.ClH/c1-11-7-9(10)8-5-3-2-4-6-8;/h2-6,9H,7,10H2,1H3;1H/t9-;/m1./s1.
What are the key properties of (1S)-2-methoxy-1-phenylethanamine;hydrochloride?
(1S)-2-methoxy-1-phenylethanamine;hydrochloride has a molecular weight of 187.67 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methoxy-1-phenylethanamine;hydrochloride is sourced from PubChem (CID 70182818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).