1-(4-tert-butylphenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol

C17H29NO2 — CID 66038264

IUPAC1-(4-tert-butylphenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
SMILESCOCCNCC(C)(O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-16(2,3)15-8-6-14(7-9-15)12-17(4,19)13-18-10-11-20-5/h6-9,18-19H,10-13H2,1-5H3
InChIKeyUMNHDVPCBUWSKN-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.51
Rot. Bonds7

About 1-(4-tert-butylphenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol

1-(4-tert-butylphenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol (PubChem CID 66038264) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
PubChem CID66038264
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(4-tert-butylphenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
SMILESCOCCNCC(C)(O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-16(2,3)15-8-6-14(7-9-15)12-17(4,19)13-18-10-11-20-5/h6-9,18-19H,10-13H2,1-5H3
InChIKeyUMNHDVPCBUWSKN-UHFFFAOYSA-N
XLogP2.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.51
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-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 66037529
1-(3-bromo-4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 66036830
1-(2-methoxyethylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 62775363
1-(3-bromo-5-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 79711078
1-methoxy-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 62774154
1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 114861733
1-(2-methoxyethylamino)-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79819687
1-(2-chloro-4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 66037305
2-(3,4-dimethoxyphenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62773797
2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150266
2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 62720244
1-tert-butyl-4-(2-methoxyethyl)benzene
CID 67201808

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-tert-butylphenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol (CID 66038264) is 1-(4-tert-butylphenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol is COCCNCC(C)(O)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol?
The InChIKey is UMNHDVPCBUWSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-16(2,3)15-8-6-14(7-9-15)12-17(4,19)13-18-10-11-20-5/h6-9,18-19H,10-13H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol?
1-(4-tert-butylphenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol has a molecular weight of 279.42 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 66038264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).