N'-[5-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-methylphenyl]methanimidamide

C22H22ClN3O — CID 162521310

IUPACN'-[5-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-methylphenyl]methanimidamide
SMILESCc1ccc(NCc2ccc(OCc3cccc(Cl)c3)cc2)cc1/N=C/N
InChIInChI=1S/C22H22ClN3O/c1-16-5-8-20(12-22(16)26-15-24)25-13-17-6-9-21(10-7-17)27-14-18-3-2-4-19(23)11-18/h2-12,15,25H,13-14H2,1H3,(H2,24,26)
InChIKeyHBTFCNBPYSBVQW-UHFFFAOYSA-N
MW379.89 g/mol
LogP5.46
Rot. Bonds7

About N'-[5-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-methylphenyl]methanimidamide

N'-[5-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-methylphenyl]methanimidamide (PubChem CID 162521310) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is N'-[5-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-methylphenyl]methanimidamide.

Molecular Properties

Compound NameN'-[5-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-methylphenyl]methanimidamide
PubChem CID162521310
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC NameN'-[5-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-methylphenyl]methanimidamide
SMILESCc1ccc(NCc2ccc(OCc3cccc(Cl)c3)cc2)cc1/N=C/N
InChIInChI=1S/C22H22ClN3O/c1-16-5-8-20(12-22(16)26-15-24)25-13-17-6-9-21(10-7-17)27-14-18-3-2-4-19(23)11-18/h2-12,15,25H,13-14H2,1H3,(H2,24,26)
InChIKeyHBTFCNBPYSBVQW-UHFFFAOYSA-N
XLogP5.46
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-chloro-N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118289
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 39438794
3-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methylaniline
CID 126117644
3-chloro-N-[(4-propoxyphenyl)methyl]aniline
CID 29296989
2-[4-[(3-chlorophenyl)methoxy]anilino]acetamide
CID 10732289
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
5-[(3-chlorophenyl)methylamino]-2-methylphenol
CID 18615765
3-(ethylideneamino)-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 143961158
2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide
CID 10639305
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39390007
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
CID 126125185
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-3-methylaniline
CID 126127595

Frequently Asked Questions

What is the IUPAC name of N'-[5-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-methylphenyl]methanimidamide?
The IUPAC name of N'-[5-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-methylphenyl]methanimidamide (CID 162521310) is N'-[5-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-methylphenyl]methanimidamide.
What is the SMILES notation for N'-[5-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-methylphenyl]methanimidamide?
The canonical SMILES for N'-[5-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-methylphenyl]methanimidamide is Cc1ccc(NCc2ccc(OCc3cccc(Cl)c3)cc2)cc1/N=C/N.
What is the InChIKey of N'-[5-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-methylphenyl]methanimidamide?
The InChIKey is HBTFCNBPYSBVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c1-16-5-8-20(12-22(16)26-15-24)25-13-17-6-9-21(10-7-17)27-14-18-3-2-4-19(23)11-18/h2-12,15,25H,13-14H2,1H3,(H2,24,26).
What are the key properties of N'-[5-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-methylphenyl]methanimidamide?
N'-[5-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-methylphenyl]methanimidamide has a molecular weight of 379.89 g/mol, XLogP of 5.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-methylphenyl]methanimidamide is sourced from PubChem (CID 162521310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).