4-[1-(5,6-dihydronaphthalen-2-yl)propan-2-ylamino]phenol

C19H21NO — CID 145300151

IUPAC4-[1-(5,6-dihydronaphthalen-2-yl)propan-2-ylamino]phenol
SMILESCC(Cc1ccc2c(c1)C=CCC2)Nc1ccc(O)cc1
InChIInChI=1S/C19H21NO/c1-14(20-18-8-10-19(21)11-9-18)12-15-6-7-16-4-2-3-5-17(16)13-15/h3,5-11,13-14,20-21H,2,4,12H2,1H3
InChIKeyJIOMIESXGMJUMN-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.39
Rot. Bonds4

About 4-[1-(5,6-dihydronaphthalen-2-yl)propan-2-ylamino]phenol

4-[1-(5,6-dihydronaphthalen-2-yl)propan-2-ylamino]phenol (PubChem CID 145300151) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[1-(5,6-dihydronaphthalen-2-yl)propan-2-ylamino]phenol.

Molecular Properties

Compound Name4-[1-(5,6-dihydronaphthalen-2-yl)propan-2-ylamino]phenol
PubChem CID145300151
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name4-[1-(5,6-dihydronaphthalen-2-yl)propan-2-ylamino]phenol
SMILESCC(Cc1ccc2c(c1)C=CCC2)Nc1ccc(O)cc1
InChIInChI=1S/C19H21NO/c1-14(20-18-8-10-19(21)11-9-18)12-15-6-7-16-4-2-3-5-17(16)13-15/h3,5-11,13-14,20-21H,2,4,12H2,1H3
InChIKeyJIOMIESXGMJUMN-UHFFFAOYSA-N
XLogP4.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-hydroxyanilino)propyl]phenol
CID 113322859
4-[2-[1-(5,6-dihydronaphthalen-2-yl)propan-2-ylamino]-1-hydroxyethyl]benzene-1,2-diol
CID 145300139
ethane;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol
CID 145300140
4-[2-[4-(2-hydroxyethyl)anilino]propyl]phenol
CID 115494265
(2S)-3-(5,6-dihydronaphthalen-2-yl)-2-formamidopropanoic acid
CID 166490292
1-(5,6-dihydronaphthalen-2-yl)ethanol
CID 131969381
6-(2-methylpropyl)-1,2-dihydroanthracene
CID 141269384
4-[2-(4-fluoro-3-methylanilino)propyl]phenol
CID 115494328
4-[1-(4-hydroxyphenyl)propan-2-ylamino]benzene-1,2-dicarbonitrile
CID 107788231
5-(2-methylpropyl)-1H-indene
CID 18314914
4-[2-(3-propan-2-ylanilino)propyl]phenol
CID 115493965
ethane;5-(2-methylpropyl)-1H-indene
CID 162282663

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5,6-dihydronaphthalen-2-yl)propan-2-ylamino]phenol?
The IUPAC name of 4-[1-(5,6-dihydronaphthalen-2-yl)propan-2-ylamino]phenol (CID 145300151) is 4-[1-(5,6-dihydronaphthalen-2-yl)propan-2-ylamino]phenol.
What is the SMILES notation for 4-[1-(5,6-dihydronaphthalen-2-yl)propan-2-ylamino]phenol?
The canonical SMILES for 4-[1-(5,6-dihydronaphthalen-2-yl)propan-2-ylamino]phenol is CC(Cc1ccc2c(c1)C=CCC2)Nc1ccc(O)cc1.
What is the InChIKey of 4-[1-(5,6-dihydronaphthalen-2-yl)propan-2-ylamino]phenol?
The InChIKey is JIOMIESXGMJUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-14(20-18-8-10-19(21)11-9-18)12-15-6-7-16-4-2-3-5-17(16)13-15/h3,5-11,13-14,20-21H,2,4,12H2,1H3.
What are the key properties of 4-[1-(5,6-dihydronaphthalen-2-yl)propan-2-ylamino]phenol?
4-[1-(5,6-dihydronaphthalen-2-yl)propan-2-ylamino]phenol has a molecular weight of 279.38 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5,6-dihydronaphthalen-2-yl)propan-2-ylamino]phenol is sourced from PubChem (CID 145300151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).