1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol

C14H23NO2 — CID 82049197

IUPAC1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(C(C)(C)C)cc1C(C)(O)CN
InChIInChI=1S/C14H23NO2/c1-13(2,3)10-6-7-12(17-5)11(8-10)14(4,16)9-15/h6-8,16H,9,15H2,1-5H3
InChIKeyMQODOWDJGVPLGW-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.16
Rot. Bonds3

About 1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol

1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol (PubChem CID 82049197) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
PubChem CID82049197
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(C(C)(C)C)cc1C(C)(O)CN
InChIInChI=1S/C14H23NO2/c1-13(2,3)10-6-7-12(17-5)11(8-10)14(4,16)9-15/h6-8,16H,9,15H2,1-5H3
InChIKeyMQODOWDJGVPLGW-UHFFFAOYSA-N
XLogP2.16
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol
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4-(3-tert-butyl-4-methoxyphenyl)pentane-1,4-diol
CID 116861537
3-amino-3-(5-tert-butyl-2-methoxyphenyl)butanoic acid
CID 82160103
(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869
2-(5-tert-butyl-2-methoxyphenyl)-2-methylpropanoic acid
CID 82131491
1-amino-2-(3,4,5-trimethoxyphenyl)propan-2-ol
CID 71778100
ethyl 2-amino-2-(5-tert-butyl-2-methoxyphenyl)butanoate
CID 3261124
4-(5-tert-butyl-2-methoxyphenyl)butan-1-amine
CID 93185561

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol (CID 82049197) is 1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol is COc1ccc(C(C)(C)C)cc1C(C)(O)CN.
What is the InChIKey of 1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol?
The InChIKey is MQODOWDJGVPLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-13(2,3)10-6-7-12(17-5)11(8-10)14(4,16)9-15/h6-8,16H,9,15H2,1-5H3.
What are the key properties of 1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol?
1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 82049197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).