3-phenylmethoxybenzenecarboximidamide;hydrochloride

C14H15ClN2O — CID 42656920

IUPAC3-phenylmethoxybenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C14H14N2O.ClH/c15-14(16)12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11;/h1-9H,10H2,(H3,15,16);1H
InChIKeyLUQXYKPIXTZTSX-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.97
Rot. Bonds4

About 3-phenylmethoxybenzenecarboximidamide;hydrochloride

3-phenylmethoxybenzenecarboximidamide;hydrochloride (PubChem CID 42656920) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-phenylmethoxybenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name3-phenylmethoxybenzenecarboximidamide;hydrochloride
PubChem CID42656920
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name3-phenylmethoxybenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C14H14N2O.ClH/c15-14(16)12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11;/h1-9H,10H2,(H3,15,16);1H
InChIKeyLUQXYKPIXTZTSX-UHFFFAOYSA-N
XLogP2.97
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxybenzenecarboximidamide;hydrochloride?
The IUPAC name of 3-phenylmethoxybenzenecarboximidamide;hydrochloride (CID 42656920) is 3-phenylmethoxybenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 3-phenylmethoxybenzenecarboximidamide;hydrochloride?
The canonical SMILES for 3-phenylmethoxybenzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 3-phenylmethoxybenzenecarboximidamide;hydrochloride?
The InChIKey is LUQXYKPIXTZTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O.ClH/c15-14(16)12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11;/h1-9H,10H2,(H3,15,16);1H.
What are the key properties of 3-phenylmethoxybenzenecarboximidamide;hydrochloride?
3-phenylmethoxybenzenecarboximidamide;hydrochloride has a molecular weight of 262.74 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxybenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 42656920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).