2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine

C19H18N4O — CID 168592571

IUPAC2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cccc(OCc2cccc3ccccc23)c1
InChIInChI=1S/C19H18N4O/c20-19(21)23-22-12-14-5-3-9-17(11-14)24-13-16-8-4-7-15-6-1-2-10-18(15)16/h1-12H,13H2,(H4,20,21,23)
InChIKeyMIPCTXHJWDLGKS-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.03
Rot. Bonds5

About 2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine

2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine (PubChem CID 168592571) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine
PubChem CID168592571
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cccc(OCc2cccc3ccccc23)c1
InChIInChI=1S/C19H18N4O/c20-19(21)23-22-12-14-5-3-9-17(11-14)24-13-16-8-4-7-15-6-1-2-10-18(15)16/h1-12H,13H2,(H4,20,21,23)
InChIKeyMIPCTXHJWDLGKS-UHFFFAOYSA-N
XLogP3.03
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.03
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[3-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590728
2-[(3-ethoxyphenyl)methylideneamino]guanidine
CID 76880079
2-[(E)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 110338183
2-[[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine
CID 2716663
2-[[3-[(4-benzoylphenyl)methoxy]phenyl]methylideneamino]guanidine
CID 74184183
2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]guanidine
CID 168592270
2-[(E)-(3-butoxyphenyl)methylideneamino]guanidine
CID 110340446
4-chloro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 94847929
4-bromo-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 126375379
2-[[2-(phenoxymethyl)phenyl]methylideneamino]guanidine
CID 168591467
2-[[3-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590804
ethyl 2-[3-[(Z)-(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetate
CID 71670101

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine (CID 168592571) is 2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1cccc(OCc2cccc3ccccc23)c1.
What is the InChIKey of 2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine?
The InChIKey is MIPCTXHJWDLGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c20-19(21)23-22-12-14-5-3-9-17(11-14)24-13-16-8-4-7-15-6-1-2-10-18(15)16/h1-12H,13H2,(H4,20,21,23).
What are the key properties of 2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine?
2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine has a molecular weight of 318.38 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168592571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).