4-[2-amino-1-(3-methoxyphenyl)propoxy]-N-(4-fluorophenyl)-2-methanimidoylaniline

C23H24FN3O2 — CID 123639319

IUPAC4-[2-amino-1-(3-methoxyphenyl)propoxy]-N-(4-fluorophenyl)-2-methanimidoylaniline
SMILES[H]/N=C/c1cc(OC(c2cccc(OC)c2)C(C)N)ccc1Nc1ccc(F)cc1
InChIInChI=1S/C23H24FN3O2/c1-15(26)23(16-4-3-5-20(12-16)28-2)29-21-10-11-22(17(13-21)14-25)27-19-8-6-18(24)7-9-19/h3-15,23,25,27H,26H2,1-2H3/b25-14+
InChIKeyUNVVAKSMVHFXSD-AFUMVMLFSA-N
MW393.46 g/mol
LogP5.04
Rot. Bonds8

About 4-[2-amino-1-(3-methoxyphenyl)propoxy]-N-(4-fluorophenyl)-2-methanimidoylaniline

4-[2-amino-1-(3-methoxyphenyl)propoxy]-N-(4-fluorophenyl)-2-methanimidoylaniline (PubChem CID 123639319) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 4-[2-amino-1-(3-methoxyphenyl)propoxy]-N-(4-fluorophenyl)-2-methanimidoylaniline.

Molecular Properties

Compound Name4-[2-amino-1-(3-methoxyphenyl)propoxy]-N-(4-fluorophenyl)-2-methanimidoylaniline
PubChem CID123639319
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name4-[2-amino-1-(3-methoxyphenyl)propoxy]-N-(4-fluorophenyl)-2-methanimidoylaniline
SMILES[H]/N=C/c1cc(OC(c2cccc(OC)c2)C(C)N)ccc1Nc1ccc(F)cc1
InChIInChI=1S/C23H24FN3O2/c1-15(26)23(16-4-3-5-20(12-16)28-2)29-21-10-11-22(17(13-21)14-25)27-19-8-6-18(24)7-9-19/h3-15,23,25,27H,26H2,1-2H3/b25-14+
InChIKeyUNVVAKSMVHFXSD-AFUMVMLFSA-N
XLogP5.04
TPSA80.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.46
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(1R,2S)-1-[4-(4-fluoroanilino)-3-methanimidoylphenoxy]-1-(3-methoxyphenyl)propan-2-yl]-N-methyloxamide
CID 143701069
N-[4-[2-amino-1-(2-methoxy-4-pyridinyl)propoxy]-2-methanimidoylphenyl]pyridin-3-amine
CID 143677608
4-[(1R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfanylamino]-1-phenylpropoxy]-N-(4-fluorophenyl)-2-methanimidoylaniline
CID 143677606
4-(3-amino-2,2-dimethyl-1-phenylpropyl)-N-(4-fluorophenyl)-2-methanimidoylaniline
CID 143670957
1-(4-fluorophenyl)-1-(3-iodophenoxy)propan-2-amine
CID 55015269
1-(3-bromophenoxy)-1-(4-fluorophenyl)propan-2-amine
CID 55014732
1-(4-fluorophenyl)-1-[3-(methoxymethyl)phenoxy]propan-2-amine
CID 63984561
2-fluoro-1-[(2S,3R)-5-fluoro-3-[4-(4-fluoroanilino)-3-methanimidoylphenoxy]-2-methyl-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 143701037
4-[4-(4-fluoroanilino)-3-methanimidoylphenyl]-3,3-dimethyl-1,4-diphenylbutan-2-ol
CID 59251174
1-(3-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 55018073
N-[(3S)-3-[4-(4-fluoroanilino)-3-methanimidoylphenyl]-2,2-dimethyl-3-phenylpropyl]ethanesulfonamide
CID 143670961
1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine
CID 55020131

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(3-methoxyphenyl)propoxy]-N-(4-fluorophenyl)-2-methanimidoylaniline?
The IUPAC name of 4-[2-amino-1-(3-methoxyphenyl)propoxy]-N-(4-fluorophenyl)-2-methanimidoylaniline (CID 123639319) is 4-[2-amino-1-(3-methoxyphenyl)propoxy]-N-(4-fluorophenyl)-2-methanimidoylaniline.
What is the SMILES notation for 4-[2-amino-1-(3-methoxyphenyl)propoxy]-N-(4-fluorophenyl)-2-methanimidoylaniline?
The canonical SMILES for 4-[2-amino-1-(3-methoxyphenyl)propoxy]-N-(4-fluorophenyl)-2-methanimidoylaniline is [H]/N=C/c1cc(OC(c2cccc(OC)c2)C(C)N)ccc1Nc1ccc(F)cc1.
What is the InChIKey of 4-[2-amino-1-(3-methoxyphenyl)propoxy]-N-(4-fluorophenyl)-2-methanimidoylaniline?
The InChIKey is UNVVAKSMVHFXSD-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-15(26)23(16-4-3-5-20(12-16)28-2)29-21-10-11-22(17(13-21)14-25)27-19-8-6-18(24)7-9-19/h3-15,23,25,27H,26H2,1-2H3/b25-14+.
What are the key properties of 4-[2-amino-1-(3-methoxyphenyl)propoxy]-N-(4-fluorophenyl)-2-methanimidoylaniline?
4-[2-amino-1-(3-methoxyphenyl)propoxy]-N-(4-fluorophenyl)-2-methanimidoylaniline has a molecular weight of 393.46 g/mol, XLogP of 5.04, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(3-methoxyphenyl)propoxy]-N-(4-fluorophenyl)-2-methanimidoylaniline is sourced from PubChem (CID 123639319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).