N-methyl-N'-[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-N-propylmethanimidamide

C20H26N2O — CID 139453832

IUPACN-methyl-N'-[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-N-propylmethanimidamide
SMILESCCCN(C)/C=N/c1ccc(OCc2ccccc2C)c(C)c1
InChIInChI=1S/C20H26N2O/c1-5-12-22(4)15-21-19-10-11-20(17(3)13-19)23-14-18-9-7-6-8-16(18)2/h6-11,13,15H,5,12,14H2,1-4H3/b21-15+
InChIKeyWLVYODRGUZAZGP-RCCKNPSSSA-N
MW310.44 g/mol
LogP4.88
Rot. Bonds7

About N-methyl-N'-[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-N-propylmethanimidamide

N-methyl-N'-[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-N-propylmethanimidamide (PubChem CID 139453832) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-methyl-N'-[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-N-propylmethanimidamide.

Molecular Properties

Compound NameN-methyl-N'-[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-N-propylmethanimidamide
PubChem CID139453832
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-methyl-N'-[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-N-propylmethanimidamide
SMILESCCCN(C)/C=N/c1ccc(OCc2ccccc2C)c(C)c1
InChIInChI=1S/C20H26N2O/c1-5-12-22(4)15-21-19-10-11-20(17(3)13-19)23-14-18-9-7-6-8-16(18)2/h6-11,13,15H,5,12,14H2,1-4H3/b21-15+
InChIKeyWLVYODRGUZAZGP-RCCKNPSSSA-N
XLogP4.88
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.88
H-Bond Donors ≤ 50
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

N-(3,4-dimethylphenyl)-1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126218669
N-ethyl-N-methyl-N'-[2-methyl-6-[(2-methylphenyl)methoxy]-5-tripropylsilyl-3-pyridinyl]methanimidamide
CID 123308692
[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-phenylmethanol
CID 141427113
3-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866403
3-[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866451
N-(3-chloro-4-methylphenyl)-1-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126210028
N-methyl-N-[2-[methyl(phenyliminomethyl)amino]ethyl]-N'-phenylmethanimidamide
CID 124927893
(NE)-N-[[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylidene]hydroxylamine
CID 42312904
4-methyl-3-[[2-methyl-4-(N-phenylanilino)phenoxy]methyl]-N,N-diphenylaniline
CID 154971554
4-(chloromethyl)-2-fluoro-1-[(2-methylphenyl)methoxy]benzene
CID 107691185
3-methyl-4-[(2-methylphenyl)methoxy]benzaldehyde;(E)-4-[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]but-3-en-2-one
CID 162258184
1-fluoro-2-[(2-methylphenyl)methoxy]benzene
CID 60627765

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-N-propylmethanimidamide?
The IUPAC name of N-methyl-N'-[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-N-propylmethanimidamide (CID 139453832) is N-methyl-N'-[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-N-propylmethanimidamide.
What is the SMILES notation for N-methyl-N'-[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-N-propylmethanimidamide?
The canonical SMILES for N-methyl-N'-[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-N-propylmethanimidamide is CCCN(C)/C=N/c1ccc(OCc2ccccc2C)c(C)c1.
What is the InChIKey of N-methyl-N'-[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-N-propylmethanimidamide?
The InChIKey is WLVYODRGUZAZGP-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H26N2O/c1-5-12-22(4)15-21-19-10-11-20(17(3)13-19)23-14-18-9-7-6-8-16(18)2/h6-11,13,15H,5,12,14H2,1-4H3/b21-15+.
What are the key properties of N-methyl-N'-[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-N-propylmethanimidamide?
N-methyl-N'-[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-N-propylmethanimidamide has a molecular weight of 310.44 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-N-propylmethanimidamide is sourced from PubChem (CID 139453832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).