4-[(3-chlorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride

C15H16Cl2N2O — CID 82253711

IUPAC4-[(3-chlorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(COCc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H15ClN2O.ClH/c16-14-3-1-2-12(8-14)10-19-9-11-4-6-13(7-5-11)15(17)18;/h1-8H,9-10H2,(H3,17,18);1H
InChIKeyHQBCNCAHIOHTLE-UHFFFAOYSA-N
MW311.21 g/mol
LogP3.76
Rot. Bonds5

About 4-[(3-chlorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride

4-[(3-chlorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride (PubChem CID 82253711) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
PubChem CID82253711
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name4-[(3-chlorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(COCc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H15ClN2O.ClH/c16-14-3-1-2-12(8-14)10-19-9-11-4-6-13(7-5-11)15(17)18;/h1-8H,9-10H2,(H3,17,18);1H
InChIKeyHQBCNCAHIOHTLE-UHFFFAOYSA-N
XLogP3.76
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 53.76
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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Related Compounds

3-[(4-bromophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82253913
4-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82240742
1-chloro-3-[(4-iodophenyl)methoxymethyl]benzene
CID 65490546
4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide
CID 24703974
4-[(3-bromophenoxy)methyl]benzenecarboximidamide;hydrochloride
CID 82253881
5-[(3-chlorophenyl)methoxy]pyrazine-2-carboximidamide
CID 65126652
4-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide
CID 64602735
4-[(3-chloro-2-fluorophenoxy)methyl]benzenecarboximidamide
CID 116689241
3-(thiophen-2-ylmethoxymethyl)benzenecarboximidamide
CID 54966719
4-[(3-chloro-4-fluorophenyl)methoxy]benzenecarboximidamide
CID 103038182
3-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide
CID 82253918
5-[(4-chlorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide
CID 65339965

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride?
The IUPAC name of 4-[(3-chlorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride (CID 82253711) is 4-[(3-chlorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-[(3-chlorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-[(3-chlorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(COCc2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[(3-chlorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride?
The InChIKey is HQBCNCAHIOHTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O.ClH/c16-14-3-1-2-12(8-14)10-19-9-11-4-6-13(7-5-11)15(17)18;/h1-8H,9-10H2,(H3,17,18);1H.
What are the key properties of 4-[(3-chlorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride?
4-[(3-chlorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride has a molecular weight of 311.21 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 82253711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).