N-ethyl-N'-[5-methoxy-2-methyl-3-[(2-methylphenyl)methyl]phenyl]-N-methylmethanimidamide

C20H26N2O — CID 154647774

IUPACN-ethyl-N'-[5-methoxy-2-methyl-3-[(2-methylphenyl)methyl]phenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(OC)cc(Cc2ccccc2C)c1C
InChIInChI=1S/C20H26N2O/c1-6-22(4)14-21-20-13-19(23-5)12-18(16(20)3)11-17-10-8-7-9-15(17)2/h7-10,12-14H,6,11H2,1-5H3/b21-14+
InChIKeySCFXRDZPCMITCC-KGENOOAVSA-N
MW310.44 g/mol
LogP4.51
Rot. Bonds6

About N-ethyl-N'-[5-methoxy-2-methyl-3-[(2-methylphenyl)methyl]phenyl]-N-methylmethanimidamide

N-ethyl-N'-[5-methoxy-2-methyl-3-[(2-methylphenyl)methyl]phenyl]-N-methylmethanimidamide (PubChem CID 154647774) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-ethyl-N'-[5-methoxy-2-methyl-3-[(2-methylphenyl)methyl]phenyl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-[5-methoxy-2-methyl-3-[(2-methylphenyl)methyl]phenyl]-N-methylmethanimidamide
PubChem CID154647774
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-ethyl-N'-[5-methoxy-2-methyl-3-[(2-methylphenyl)methyl]phenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(OC)cc(Cc2ccccc2C)c1C
InChIInChI=1S/C20H26N2O/c1-6-22(4)14-21-20-13-19(23-5)12-18(16(20)3)11-17-10-8-7-9-15(17)2/h7-10,12-14H,6,11H2,1-5H3/b21-14+
InChIKeySCFXRDZPCMITCC-KGENOOAVSA-N
XLogP4.51
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.51
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-ethyl-N'-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-methylphenyl]-N-methylmethanimidamide
CID 154647678
N'-[4-[(2-cyanophenyl)methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 139558679
N'-[2,5-dimethyl-6-[methyl-[(2-methylphenyl)methyl]amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 118034859
N-ethyl-N-methyl-N'-[2-methyl-6-[(2-methylphenyl)methoxy]-5-tripropylsilyl-3-pyridinyl]methanimidamide
CID 123308692
N'-[5-cyano-3-[(4-fluorophenyl)methyl]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 154647967
N'-[5-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide
CID 154647900
N-ethyl-N'-[4-[C-[(3-methoxyphenyl)sulfanylmethyl]-N-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 135364015
N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide
CID 66796149
N'-(4-benzoyl-2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide;hypochlorous acid
CID 118310253
N'-(4-methoxy-2-methylphenyl)-N,N-dimethylmethanimidamide
CID 25767
N-ethyl-N'-[2-fluoro-4-[(4-fluorophenyl)methyl]-5-methylphenyl]-N-methylmethanimidamide
CID 146197682
N'-[4-(2-bromoanilino)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197869

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[5-methoxy-2-methyl-3-[(2-methylphenyl)methyl]phenyl]-N-methylmethanimidamide?
The IUPAC name of N-ethyl-N'-[5-methoxy-2-methyl-3-[(2-methylphenyl)methyl]phenyl]-N-methylmethanimidamide (CID 154647774) is N-ethyl-N'-[5-methoxy-2-methyl-3-[(2-methylphenyl)methyl]phenyl]-N-methylmethanimidamide.
What is the SMILES notation for N-ethyl-N'-[5-methoxy-2-methyl-3-[(2-methylphenyl)methyl]phenyl]-N-methylmethanimidamide?
The canonical SMILES for N-ethyl-N'-[5-methoxy-2-methyl-3-[(2-methylphenyl)methyl]phenyl]-N-methylmethanimidamide is CCN(C)/C=N/c1cc(OC)cc(Cc2ccccc2C)c1C.
What is the InChIKey of N-ethyl-N'-[5-methoxy-2-methyl-3-[(2-methylphenyl)methyl]phenyl]-N-methylmethanimidamide?
The InChIKey is SCFXRDZPCMITCC-KGENOOAVSA-N. The full InChI is InChI=1S/C20H26N2O/c1-6-22(4)14-21-20-13-19(23-5)12-18(16(20)3)11-17-10-8-7-9-15(17)2/h7-10,12-14H,6,11H2,1-5H3/b21-14+.
What are the key properties of N-ethyl-N'-[5-methoxy-2-methyl-3-[(2-methylphenyl)methyl]phenyl]-N-methylmethanimidamide?
N-ethyl-N'-[5-methoxy-2-methyl-3-[(2-methylphenyl)methyl]phenyl]-N-methylmethanimidamide has a molecular weight of 310.44 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[5-methoxy-2-methyl-3-[(2-methylphenyl)methyl]phenyl]-N-methylmethanimidamide is sourced from PubChem (CID 154647774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).