6-[(4-methylphenyl)methoxy]naphthalene-2-carboximidamide

C19H18N2O — CID 131981178

IUPAC6-[(4-methylphenyl)methoxy]naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2cc(OCc3ccc(C)cc3)ccc2c1
InChIInChI=1S/C19H18N2O/c1-13-2-4-14(5-3-13)12-22-18-9-8-15-10-17(19(20)21)7-6-16(15)11-18/h2-11H,12H2,1H3,(H3,20,21)
InChIKeyGEIYUWSNDQKEDR-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.01
Rot. Bonds4

About 6-[(4-methylphenyl)methoxy]naphthalene-2-carboximidamide

6-[(4-methylphenyl)methoxy]naphthalene-2-carboximidamide (PubChem CID 131981178) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-[(4-methylphenyl)methoxy]naphthalene-2-carboximidamide.

Molecular Properties

Compound Name6-[(4-methylphenyl)methoxy]naphthalene-2-carboximidamide
PubChem CID131981178
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name6-[(4-methylphenyl)methoxy]naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2cc(OCc3ccc(C)cc3)ccc2c1
InChIInChI=1S/C19H18N2O/c1-13-2-4-14(5-3-13)12-22-18-9-8-15-10-17(19(20)21)7-6-16(15)11-18/h2-11H,12H2,1H3,(H3,20,21)
InChIKeyGEIYUWSNDQKEDR-UHFFFAOYSA-N
XLogP4.01
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.01
H-Bond Donors ≤ 52
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

4-[[4-[(4-carbamimidoylphenoxy)methyl]phenyl]methoxy]benzenecarboximidamide;methane
CID 161112303
3-[[3-[(3-carbamimidoylphenoxy)methyl]-5-methylphenyl]methoxy]benzenecarboximidamide;dihydrochloride
CID 156508315
4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide
CID 156508325
6-methoxynaphthalene-2-carboximidamide
CID 3274917
methyl 2-(6-carbamimidoylnaphthalen-2-yl)oxyacetate
CID 10904773
3-[(3,5-dimethylphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657148
3,5-bis[(4-carbamimidoylphenoxy)methyl]benzenecarboximidamide
CID 139902633
4-[(2,5-dimethylphenyl)methoxy]benzenecarboximidamide
CID 61481990
4-[[4-(dimethylamino)phenyl]methoxy]benzenecarboximidamide;hydrochloride
CID 82240770
4-[(3-bromophenoxy)methyl]benzenecarboximidamide
CID 24705552
2-[[6-[(4-carbamimidoylphenyl)methoxy]naphthalen-2-yl]methyl]-3-oxo-3-phenylpropanoic acid
CID 141449226
4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide
CID 143436452

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylphenyl)methoxy]naphthalene-2-carboximidamide?
The IUPAC name of 6-[(4-methylphenyl)methoxy]naphthalene-2-carboximidamide (CID 131981178) is 6-[(4-methylphenyl)methoxy]naphthalene-2-carboximidamide.
What is the SMILES notation for 6-[(4-methylphenyl)methoxy]naphthalene-2-carboximidamide?
The canonical SMILES for 6-[(4-methylphenyl)methoxy]naphthalene-2-carboximidamide is [H]/N=C(\N)c1ccc2cc(OCc3ccc(C)cc3)ccc2c1.
What is the InChIKey of 6-[(4-methylphenyl)methoxy]naphthalene-2-carboximidamide?
The InChIKey is GEIYUWSNDQKEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-13-2-4-14(5-3-13)12-22-18-9-8-15-10-17(19(20)21)7-6-16(15)11-18/h2-11H,12H2,1H3,(H3,20,21).
What are the key properties of 6-[(4-methylphenyl)methoxy]naphthalene-2-carboximidamide?
6-[(4-methylphenyl)methoxy]naphthalene-2-carboximidamide has a molecular weight of 290.37 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylphenyl)methoxy]naphthalene-2-carboximidamide is sourced from PubChem (CID 131981178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).