4-[(3-methoxyphenoxy)methyl]-2-(naphthalene-2-carboximidoyl)aniline

C25H22N2O2 — CID 142179037

IUPAC4-[(3-methoxyphenoxy)methyl]-2-(naphthalene-2-carboximidoyl)aniline
SMILES[H]/N=C(\c1ccc2ccccc2c1)c1cc(COc2cccc(OC)c2)ccc1N
InChIInChI=1S/C25H22N2O2/c1-28-21-7-4-8-22(15-21)29-16-17-9-12-24(26)23(13-17)25(27)20-11-10-18-5-2-3-6-19(18)14-20/h2-15,27H,16,26H2,1H3/b27-25+
InChIKeyZNAQDVJPLRVCCA-IMVLJIQESA-N
MW382.46 g/mol
LogP5.43
Rot. Bonds6

About 4-[(3-methoxyphenoxy)methyl]-2-(naphthalene-2-carboximidoyl)aniline

4-[(3-methoxyphenoxy)methyl]-2-(naphthalene-2-carboximidoyl)aniline (PubChem CID 142179037) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[(3-methoxyphenoxy)methyl]-2-(naphthalene-2-carboximidoyl)aniline.

Molecular Properties

Compound Name4-[(3-methoxyphenoxy)methyl]-2-(naphthalene-2-carboximidoyl)aniline
PubChem CID142179037
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name4-[(3-methoxyphenoxy)methyl]-2-(naphthalene-2-carboximidoyl)aniline
SMILES[H]/N=C(\c1ccc2ccccc2c1)c1cc(COc2cccc(OC)c2)ccc1N
InChIInChI=1S/C25H22N2O2/c1-28-21-7-4-8-22(15-21)29-16-17-9-12-24(26)23(13-17)25(27)20-11-10-18-5-2-3-6-19(18)14-20/h2-15,27H,16,26H2,1H3/b27-25+
InChIKeyZNAQDVJPLRVCCA-IMVLJIQESA-N
XLogP5.43
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide
CID 142112568
2-chloro-4-[(3-methoxyphenoxy)methyl]aniline
CID 117220355
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide
CID 156508325
2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 24694243
3-chloro-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 61388847
methyl 2-amino-5-[(4-methoxyphenyl)methoxy]benzoate
CID 61305630
4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide
CID 61299239
2-(3-fluorobenzenecarboximidoyl)-4-(methylaminomethyl)aniline
CID 142178906
[3-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 15778115
1,2-bis[4-[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]ethane-1,2-dione
CID 102382632
4-[(3-bromophenoxy)methyl]benzenecarboximidamide
CID 24705552

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenoxy)methyl]-2-(naphthalene-2-carboximidoyl)aniline?
The IUPAC name of 4-[(3-methoxyphenoxy)methyl]-2-(naphthalene-2-carboximidoyl)aniline (CID 142179037) is 4-[(3-methoxyphenoxy)methyl]-2-(naphthalene-2-carboximidoyl)aniline.
What is the SMILES notation for 4-[(3-methoxyphenoxy)methyl]-2-(naphthalene-2-carboximidoyl)aniline?
The canonical SMILES for 4-[(3-methoxyphenoxy)methyl]-2-(naphthalene-2-carboximidoyl)aniline is [H]/N=C(\c1ccc2ccccc2c1)c1cc(COc2cccc(OC)c2)ccc1N.
What is the InChIKey of 4-[(3-methoxyphenoxy)methyl]-2-(naphthalene-2-carboximidoyl)aniline?
The InChIKey is ZNAQDVJPLRVCCA-IMVLJIQESA-N. The full InChI is InChI=1S/C25H22N2O2/c1-28-21-7-4-8-22(15-21)29-16-17-9-12-24(26)23(13-17)25(27)20-11-10-18-5-2-3-6-19(18)14-20/h2-15,27H,16,26H2,1H3/b27-25+.
What are the key properties of 4-[(3-methoxyphenoxy)methyl]-2-(naphthalene-2-carboximidoyl)aniline?
4-[(3-methoxyphenoxy)methyl]-2-(naphthalene-2-carboximidoyl)aniline has a molecular weight of 382.46 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenoxy)methyl]-2-(naphthalene-2-carboximidoyl)aniline is sourced from PubChem (CID 142179037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).