4-aminophenol;1-naphthalen-2-ylpropan-2-one;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol

C38H38N2O3 — CID 162091862

IUPAC4-aminophenol;1-naphthalen-2-ylpropan-2-one;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol
SMILESCC(=O)Cc1ccc2ccccc2c1.CC(Cc1ccc2ccccc2c1)Nc1ccc(O)cc1.Nc1ccc(O)cc1
InChIInChI=1S/C19H19NO.C13H12O.C6H7NO/c1-14(20-18-8-10-19(21)11-9-18)12-15-6-7-16-4-2-3-5-17(16)13-15;1-10(14)8-11-6-7-12-4-2-3-5-13(12)9-11;7-5-1-3-6(8)4-2-5/h2-11,13-14,20-21H,12H2,1H3;2-7,9H,8H2,1H3;1-4,8H,7H2
InChIKeyZDSLQSFDNXYGAS-UHFFFAOYSA-N
MW570.73 g/mol
LogP8.53
Rot. Bonds6

About 4-aminophenol;1-naphthalen-2-ylpropan-2-one;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol

4-aminophenol;1-naphthalen-2-ylpropan-2-one;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol (PubChem CID 162091862) has the molecular formula C38H38N2O3 and a molecular weight of 570.73 g/mol. Its IUPAC name is 4-aminophenol;1-naphthalen-2-ylpropan-2-one;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol.

Molecular Properties

Compound Name4-aminophenol;1-naphthalen-2-ylpropan-2-one;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol
PubChem CID162091862
Molecular FormulaC38H38N2O3
Molecular Weight570.73 g/mol
Exact Mass570.29
IUPAC Name4-aminophenol;1-naphthalen-2-ylpropan-2-one;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol
SMILESCC(=O)Cc1ccc2ccccc2c1.CC(Cc1ccc2ccccc2c1)Nc1ccc(O)cc1.Nc1ccc(O)cc1
InChIInChI=1S/C19H19NO.C13H12O.C6H7NO/c1-14(20-18-8-10-19(21)11-9-18)12-15-6-7-16-4-2-3-5-17(16)13-15;1-10(14)8-11-6-7-12-4-2-3-5-13(12)9-11;7-5-1-3-6(8)4-2-5/h2-11,13-14,20-21H,12H2,1H3;2-7,9H,8H2,1H3;1-4,8H,7H2
InChIKeyZDSLQSFDNXYGAS-UHFFFAOYSA-N
XLogP8.53
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.73
LogP ≤ 58.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

ethane;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol
CID 145300140
4-(aminomethyl)phenol;1-naphthalen-2-ylpropan-2-one;4-[(1-naphthalen-2-ylpropan-2-ylamino)methyl]phenol
CID 157171471
[4-(1-naphthalen-2-ylpropan-2-ylamino)phenyl] acetate
CID 168720430
4-[2-(4-hydroxyanilino)propyl]phenol
CID 113322859
4-[2-(3-propan-2-ylanilino)propyl]phenol
CID 115493965
2-fluoro-5-[1-(4-hydroxyphenyl)propan-2-ylamino]benzoic acid
CID 115494141
N-(4-acetamidophenyl)-2-naphthalen-2-ylacetamide
CID 26499620
2-naphthalen-2-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 38196427
(3S)-3-(naphthalen-2-ylamino)butanoic acid;hydrochloride
CID 71432857
1-[2-(1-naphthalen-2-ylpropan-2-ylamino)phenyl]ethanol
CID 129056725
methyl (2R)-3-(4-hydroxyphenyl)-2-[[(2R)-2-[[(2R)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]propanoate
CID 132525825
4-[2-[4-(2-hydroxyethyl)anilino]propyl]phenol
CID 115494265

Frequently Asked Questions

What is the IUPAC name of 4-aminophenol;1-naphthalen-2-ylpropan-2-one;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol?
The IUPAC name of 4-aminophenol;1-naphthalen-2-ylpropan-2-one;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol (CID 162091862) is 4-aminophenol;1-naphthalen-2-ylpropan-2-one;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol.
What is the SMILES notation for 4-aminophenol;1-naphthalen-2-ylpropan-2-one;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol?
The canonical SMILES for 4-aminophenol;1-naphthalen-2-ylpropan-2-one;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol is CC(=O)Cc1ccc2ccccc2c1.CC(Cc1ccc2ccccc2c1)Nc1ccc(O)cc1.Nc1ccc(O)cc1.
What is the InChIKey of 4-aminophenol;1-naphthalen-2-ylpropan-2-one;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol?
The InChIKey is ZDSLQSFDNXYGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO.C13H12O.C6H7NO/c1-14(20-18-8-10-19(21)11-9-18)12-15-6-7-16-4-2-3-5-17(16)13-15;1-10(14)8-11-6-7-12-4-2-3-5-13(12)9-11;7-5-1-3-6(8)4-2-5/h2-11,13-14,20-21H,12H2,1H3;2-7,9H,8H2,1H3;1-4,8H,7H2.
What are the key properties of 4-aminophenol;1-naphthalen-2-ylpropan-2-one;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol?
4-aminophenol;1-naphthalen-2-ylpropan-2-one;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol has a molecular weight of 570.73 g/mol, XLogP of 8.53, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminophenol;1-naphthalen-2-ylpropan-2-one;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol is sourced from PubChem (CID 162091862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).