N-[(4-phenylphenyl)methoxy]methanimine;hydrochloride

C14H14ClNO — CID 174429413

IUPACN-[(4-phenylphenyl)methoxy]methanimine;hydrochloride
SMILESC=NOCc1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C14H13NO.ClH/c1-15-16-11-12-7-9-14(10-8-12)13-5-3-2-4-6-13;/h2-10H,1,11H2;1H
InChIKeyMRONXTQGCKNXIR-UHFFFAOYSA-N
MW247.72 g/mol
LogP3.91
Rot. Bonds4

About N-[(4-phenylphenyl)methoxy]methanimine;hydrochloride

N-[(4-phenylphenyl)methoxy]methanimine;hydrochloride (PubChem CID 174429413) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is N-[(4-phenylphenyl)methoxy]methanimine;hydrochloride.

Molecular Properties

Compound NameN-[(4-phenylphenyl)methoxy]methanimine;hydrochloride
PubChem CID174429413
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC NameN-[(4-phenylphenyl)methoxy]methanimine;hydrochloride
SMILESC=NOCc1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C14H13NO.ClH/c1-15-16-11-12-7-9-14(10-8-12)13-5-3-2-4-6-13;/h2-10H,1,11H2;1H
InChIKeyMRONXTQGCKNXIR-UHFFFAOYSA-N
XLogP3.91
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-phenylmethoxymethanimine
CID 561610
1-(methoxymethyl)-4-phenylbenzene
CID 14906855
formaldehyde;1-(methoxymethyl)-4-phenylbenzene
CID 168878800
(4-phenylphenyl)methyl sulfite
CID 175522755
ethane;N-methylmethanimine;(4-phenylphenyl)methylhydrazine
CID 143625580
(4-phenylphenyl)methyl carbamate
CID 123751479
(4-phenylphenyl)methylhydrazine;hydrochloride
CID 71432751
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
(4-phenylphenyl)methyl sulfamate
CID 11196316
4-(methoxymethyl)-N-[4-[4-[4-(methoxymethyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 58607563
1-methoxy-2-[(4-phenylphenyl)methoxy]benzene
CID 67858860
1-(cyclopropylmethoxymethyl)-4-phenylbenzene
CID 59259711

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylphenyl)methoxy]methanimine;hydrochloride?
The IUPAC name of N-[(4-phenylphenyl)methoxy]methanimine;hydrochloride (CID 174429413) is N-[(4-phenylphenyl)methoxy]methanimine;hydrochloride.
What is the SMILES notation for N-[(4-phenylphenyl)methoxy]methanimine;hydrochloride?
The canonical SMILES for N-[(4-phenylphenyl)methoxy]methanimine;hydrochloride is C=NOCc1ccc(-c2ccccc2)cc1.Cl.
What is the InChIKey of N-[(4-phenylphenyl)methoxy]methanimine;hydrochloride?
The InChIKey is MRONXTQGCKNXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO.ClH/c1-15-16-11-12-7-9-14(10-8-12)13-5-3-2-4-6-13;/h2-10H,1,11H2;1H.
What are the key properties of N-[(4-phenylphenyl)methoxy]methanimine;hydrochloride?
N-[(4-phenylphenyl)methoxy]methanimine;hydrochloride has a molecular weight of 247.72 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylphenyl)methoxy]methanimine;hydrochloride is sourced from PubChem (CID 174429413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).