ethane;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol

C21H25NO — CID 145300140

IUPACethane;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol
SMILESCC.CC(Cc1ccc2ccccc2c1)Nc1ccc(O)cc1
InChIInChI=1S/C19H19NO.C2H6/c1-14(20-18-8-10-19(21)11-9-18)12-15-6-7-16-4-2-3-5-17(16)13-15;1-2/h2-11,13-14,20-21H,12H2,1H3;1-2H3
InChIKeyCGSGYQKTXKYTRI-UHFFFAOYSA-N
MW307.44 g/mol
LogP5.61
Rot. Bonds4

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

ethane;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol (PubChem CID 145300140) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is ethane;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol.

Molecular Properties

Compound Nameethane;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol
PubChem CID145300140
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Nameethane;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol
SMILESCC.CC(Cc1ccc2ccccc2c1)Nc1ccc(O)cc1
InChIInChI=1S/C19H19NO.C2H6/c1-14(20-18-8-10-19(21)11-9-18)12-15-6-7-16-4-2-3-5-17(16)13-15;1-2/h2-11,13-14,20-21H,12H2,1H3;1-2H3
InChIKeyCGSGYQKTXKYTRI-UHFFFAOYSA-N
XLogP5.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 55.61
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-aminophenol;1-naphthalen-2-ylpropan-2-one;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol
CID 162091862
4-[2-(4-hydroxyanilino)propyl]phenol
CID 113322859
[4-(1-naphthalen-2-ylpropan-2-ylamino)phenyl] acetate
CID 168720430
1-[2-(1-naphthalen-2-ylpropan-2-ylamino)phenyl]ethanol
CID 129056725
4-[2-[4-(2-hydroxyethyl)anilino]propyl]phenol
CID 115494265
4-[2-(3-propan-2-ylanilino)propyl]phenol
CID 115493965
4-[(naphthalen-2-ylamino)methyl]phenol
CID 13418576
4-(aminomethyl)phenol;1-naphthalen-2-ylpropan-2-one;4-[(1-naphthalen-2-ylpropan-2-ylamino)methyl]phenol
CID 157171471
4-[1-(5,6-dihydronaphthalen-2-yl)propan-2-ylamino]phenol
CID 145300151
2-methyl-3-naphthalen-2-ylpropane-1,1-diol
CID 20647932
4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 43508755
N-(1-naphthalen-2-ylpropan-2-yl)butan-1-amine
CID 82262424

Frequently Asked Questions

What is the IUPAC name of ethane;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol?
The IUPAC name of ethane;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol (CID 145300140) is ethane;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol.
What is the SMILES notation for ethane;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol?
The canonical SMILES for ethane;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol is CC.CC(Cc1ccc2ccccc2c1)Nc1ccc(O)cc1.
What is the InChIKey of ethane;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol?
The InChIKey is CGSGYQKTXKYTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO.C2H6/c1-14(20-18-8-10-19(21)11-9-18)12-15-6-7-16-4-2-3-5-17(16)13-15;1-2/h2-11,13-14,20-21H,12H2,1H3;1-2H3.
What are the key properties of ethane;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol?
ethane;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol has a molecular weight of 307.44 g/mol, XLogP of 5.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol is sourced from PubChem (CID 145300140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).