N-methoxy-1-phenylmethanamine;hydrochloride

C8H12ClNO — CID 71358116

IUPACN-methoxy-1-phenylmethanamine;hydrochloride
SMILESCONCc1ccccc1.Cl
InChIInChI=1S/C8H11NO.ClH/c1-10-9-7-8-5-3-2-4-6-8;/h2-6,9H,7H2,1H3;1H
InChIKeyFFVCFZQUHMONCF-UHFFFAOYSA-N
MW173.64 g/mol
LogP1.76
Rot. Bonds3

About N-methoxy-1-phenylmethanamine;hydrochloride

N-methoxy-1-phenylmethanamine;hydrochloride (PubChem CID 71358116) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is N-methoxy-1-phenylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-methoxy-1-phenylmethanamine;hydrochloride
PubChem CID71358116
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC NameN-methoxy-1-phenylmethanamine;hydrochloride
SMILESCONCc1ccccc1.Cl
InChIInChI=1S/C8H11NO.ClH/c1-10-9-7-8-5-3-2-4-6-8;/h2-6,9H,7H2,1H3;1H
InChIKeyFFVCFZQUHMONCF-UHFFFAOYSA-N
XLogP1.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.64
LogP ≤ 51.76
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 N-methoxy-1-phenylmethanamine;hydrochloride?
The IUPAC name of N-methoxy-1-phenylmethanamine;hydrochloride (CID 71358116) is N-methoxy-1-phenylmethanamine;hydrochloride.
What is the SMILES notation for N-methoxy-1-phenylmethanamine;hydrochloride?
The canonical SMILES for N-methoxy-1-phenylmethanamine;hydrochloride is CONCc1ccccc1.Cl.
What is the InChIKey of N-methoxy-1-phenylmethanamine;hydrochloride?
The InChIKey is FFVCFZQUHMONCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.ClH/c1-10-9-7-8-5-3-2-4-6-8;/h2-6,9H,7H2,1H3;1H.
What are the key properties of N-methoxy-1-phenylmethanamine;hydrochloride?
N-methoxy-1-phenylmethanamine;hydrochloride has a molecular weight of 173.64 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-phenylmethanamine;hydrochloride is sourced from PubChem (CID 71358116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).