2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol

C17H21NO2 — CID 46307232

IUPAC2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)COc2ccc(N)cc2)cc1
InChIInChI=1S/C17H21NO2/c1-12(2)13-3-5-14(6-4-13)17(19)11-20-16-9-7-15(18)8-10-16/h3-10,12,17,19H,11,18H2,1-2H3
InChIKeyDKDZRZBBWIKHNZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.50
Rot. Bonds5

About 2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol

2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 46307232) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol
PubChem CID46307232
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)COc2ccc(N)cc2)cc1
InChIInChI=1S/C17H21NO2/c1-12(2)13-3-5-14(6-4-13)17(19)11-20-16-9-7-15(18)8-10-16/h3-10,12,17,19H,11,18H2,1-2H3
InChIKeyDKDZRZBBWIKHNZ-UHFFFAOYSA-N
XLogP3.50
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanol
CID 62266291
1-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)ethanol
CID 63877954
2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol
CID 102533878
1-amino-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 16642374
1-(4-aminophenyl)-2-[(5-chloro-3-pyridinyl)oxy]ethanol
CID 64601162
1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 106695441
1-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)ethanol
CID 62265767
2-(4-aminophenoxy)-1-(2-chloro-4,5-dimethoxyphenyl)ethanol
CID 46307228
4-[1-hydroxy-2-(4-methoxyphenoxy)ethyl]phenol
CID 117244685
4-[2-(4-cyanophenoxy)-1-hydroxyethyl]benzonitrile
CID 109412889
4-(2-methoxypropoxy)aniline
CID 70550871
4-(2-methylpropoxy)aniline;oxalic acid
CID 70702357

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol (CID 46307232) is 2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc(C(O)COc2ccc(N)cc2)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is DKDZRZBBWIKHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(2)13-3-5-14(6-4-13)17(19)11-20-16-9-7-15(18)8-10-16/h3-10,12,17,19H,11,18H2,1-2H3.
What are the key properties of 2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol?
2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 271.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 46307232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).