2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol

C15H25NO3 — CID 18026

IUPAC2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol
SMILESCOc1ccc(OC)c(C(O)C(C)NC(C)(C)C)c1
InChIInChI=1S/C15H25NO3/c1-10(16-15(2,3)4)14(17)12-9-11(18-5)7-8-13(12)19-6/h7-10,14,16-17H,1-6H3
InChIKeyTWUSDDMONZULSC-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.51
Rot. Bonds5

About 2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol

2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol (PubChem CID 18026) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol
PubChem CID18026
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol
SMILESCOc1ccc(OC)c(C(O)C(C)NC(C)(C)C)c1
InChIInChI=1S/C15H25NO3/c1-10(16-15(2,3)4)14(17)12-9-11(18-5)7-8-13(12)19-6/h7-10,14,16-17H,1-6H3
InChIKeyTWUSDDMONZULSC-UHFFFAOYSA-N
XLogP2.51
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol?
The IUPAC name of 2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol (CID 18026) is 2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol is COc1ccc(OC)c(C(O)C(C)NC(C)(C)C)c1.
What is the InChIKey of 2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol?
The InChIKey is TWUSDDMONZULSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-10(16-15(2,3)4)14(17)12-9-11(18-5)7-8-13(12)19-6/h7-10,14,16-17H,1-6H3.
What are the key properties of 2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol?
2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 18026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).