N-[(3-chloro-4-methylphenyl)methoxy]methanimine

C9H10ClNO — CID 143697877

IUPACN-[(3-chloro-4-methylphenyl)methoxy]methanimine
SMILESC=NOCc1ccc(C)c(Cl)c1
InChIInChI=1S/C9H10ClNO/c1-7-3-4-8(5-9(7)10)6-12-11-2/h3-5H,2,6H2,1H3
InChIKeyYMURQEDIMCXMLL-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.78
Rot. Bonds3

About N-[(3-chloro-4-methylphenyl)methoxy]methanimine

N-[(3-chloro-4-methylphenyl)methoxy]methanimine (PubChem CID 143697877) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methoxy]methanimine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methoxy]methanimine
PubChem CID143697877
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC NameN-[(3-chloro-4-methylphenyl)methoxy]methanimine
SMILESC=NOCc1ccc(C)c(Cl)c1
InChIInChI=1S/C9H10ClNO/c1-7-3-4-8(5-9(7)10)6-12-11-2/h3-5H,2,6H2,1H3
InChIKeyYMURQEDIMCXMLL-UHFFFAOYSA-N
XLogP2.78
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.78
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

2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;ethane
CID 144609409
2-chloro-4-ethyl-1-methylbenzene;ethane;methane
CID 142172309
(3-chloro-4-methylphenyl)methanesulfinate
CID 23171950
2,2-dichloro-3-(3-chloro-4-methylphenyl)propanenitrile
CID 116817568
(3-chloro-4-methylphenyl)methyl-trimethylazanium
CID 14177568
2-chloro-4-(isothiocyanatomethyl)-1-methylbenzene
CID 56606163
1-(3-chloro-4-methylphenyl)-N-iodomethanamine
CID 143112650
N-[(3-chloro-4-methylphenyl)methyl]thiophen-3-amine
CID 106816916
2-chloro-4-(ethylsulfonylmethyl)-1-methylbenzene
CID 167629819
4-(3-bromopropyl)-2-chloro-1-methylbenzene
CID 59407652
acetic acid;(3-chloro-4-methylphenyl)methanol
CID 71397051
N-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine
CID 63195230

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methoxy]methanimine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methoxy]methanimine (CID 143697877) is N-[(3-chloro-4-methylphenyl)methoxy]methanimine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methoxy]methanimine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methoxy]methanimine is C=NOCc1ccc(C)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methoxy]methanimine?
The InChIKey is YMURQEDIMCXMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-7-3-4-8(5-9(7)10)6-12-11-2/h3-5H,2,6H2,1H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methoxy]methanimine?
N-[(3-chloro-4-methylphenyl)methoxy]methanimine has a molecular weight of 183.64 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methoxy]methanimine is sourced from PubChem (CID 143697877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).