1-(4-ethylphenyl)-2-(3-propan-2-yloxypropylamino)ethanol

C16H27NO2 — CID 82312624

IUPAC1-(4-ethylphenyl)-2-(3-propan-2-yloxypropylamino)ethanol
SMILESCCc1ccc(C(O)CNCCCOC(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-4-14-6-8-15(9-7-14)16(18)12-17-10-5-11-19-13(2)3/h6-9,13,16-18H,4-5,10-12H2,1-3H3
InChIKeyGAPFHLAXYWYVBM-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.69
Rot. Bonds9

About 1-(4-ethylphenyl)-2-(3-propan-2-yloxypropylamino)ethanol

1-(4-ethylphenyl)-2-(3-propan-2-yloxypropylamino)ethanol (PubChem CID 82312624) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(3-propan-2-yloxypropylamino)ethanol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(3-propan-2-yloxypropylamino)ethanol
PubChem CID82312624
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(4-ethylphenyl)-2-(3-propan-2-yloxypropylamino)ethanol
SMILESCCc1ccc(C(O)CNCCCOC(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-4-14-6-8-15(9-7-14)16(18)12-17-10-5-11-19-13(2)3/h6-9,13,16-18H,4-5,10-12H2,1-3H3
InChIKeyGAPFHLAXYWYVBM-UHFFFAOYSA-N
XLogP2.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-2-(3-propan-2-yloxypropylamino)ethanol
CID 82312948
2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60901286
1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol
CID 60896684
1-(4-methylsulfonylphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 104760199
5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]pentan-2-ol
CID 106130457
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60904141
2-(3-methoxypropylamino)-1-(4-propoxyphenyl)ethanol
CID 82314072
4-[(1R)-2-(butylamino)-1-hydroxyethyl]phenol
CID 2057150
2-(pentylamino)-1-(4-propoxyphenyl)ethanol
CID 82314080
N-(2-phenylethyl)-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17207061
5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-methylpentan-1-ol
CID 106160005
1-[4-(2-methylpropyl)phenyl]-2-(4,4,4-trifluorobutylamino)ethanol
CID 115518399

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(3-propan-2-yloxypropylamino)ethanol?
The IUPAC name of 1-(4-ethylphenyl)-2-(3-propan-2-yloxypropylamino)ethanol (CID 82312624) is 1-(4-ethylphenyl)-2-(3-propan-2-yloxypropylamino)ethanol.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(3-propan-2-yloxypropylamino)ethanol?
The canonical SMILES for 1-(4-ethylphenyl)-2-(3-propan-2-yloxypropylamino)ethanol is CCc1ccc(C(O)CNCCCOC(C)C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(3-propan-2-yloxypropylamino)ethanol?
The InChIKey is GAPFHLAXYWYVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-14-6-8-15(9-7-14)16(18)12-17-10-5-11-19-13(2)3/h6-9,13,16-18H,4-5,10-12H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-2-(3-propan-2-yloxypropylamino)ethanol?
1-(4-ethylphenyl)-2-(3-propan-2-yloxypropylamino)ethanol has a molecular weight of 265.40 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(3-propan-2-yloxypropylamino)ethanol is sourced from PubChem (CID 82312624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).