3-amino-1-[3-(2-ethylbutoxy)phenyl]propan-1-ol

C15H25NO2 — CID 58027636

IUPAC3-amino-1-[3-(2-ethylbutoxy)phenyl]propan-1-ol
SMILESCCC(CC)COc1cccc(C(O)CCN)c1
InChIInChI=1S/C15H25NO2/c1-3-12(4-2)11-18-14-7-5-6-13(10-14)15(17)8-9-16/h5-7,10,12,15,17H,3-4,8-9,11,16H2,1-2H3
InChIKeySFFNNAFYWIGEHU-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.88
Rot. Bonds8

About 3-amino-1-[3-(2-ethylbutoxy)phenyl]propan-1-ol

3-amino-1-[3-(2-ethylbutoxy)phenyl]propan-1-ol (PubChem CID 58027636) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-amino-1-[3-(2-ethylbutoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[3-(2-ethylbutoxy)phenyl]propan-1-ol
PubChem CID58027636
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-amino-1-[3-(2-ethylbutoxy)phenyl]propan-1-ol
SMILESCCC(CC)COc1cccc(C(O)CCN)c1
InChIInChI=1S/C15H25NO2/c1-3-12(4-2)11-18-14-7-5-6-13(10-14)15(17)8-9-16/h5-7,10,12,15,17H,3-4,8-9,11,16H2,1-2H3
InChIKeySFFNNAFYWIGEHU-UHFFFAOYSA-N
XLogP2.88
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(2-ethylbutoxy)phenyl]propan-1-ol?
The IUPAC name of 3-amino-1-[3-(2-ethylbutoxy)phenyl]propan-1-ol (CID 58027636) is 3-amino-1-[3-(2-ethylbutoxy)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[3-(2-ethylbutoxy)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-1-[3-(2-ethylbutoxy)phenyl]propan-1-ol is CCC(CC)COc1cccc(C(O)CCN)c1.
What is the InChIKey of 3-amino-1-[3-(2-ethylbutoxy)phenyl]propan-1-ol?
The InChIKey is SFFNNAFYWIGEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-12(4-2)11-18-14-7-5-6-13(10-14)15(17)8-9-16/h5-7,10,12,15,17H,3-4,8-9,11,16H2,1-2H3.
What are the key properties of 3-amino-1-[3-(2-ethylbutoxy)phenyl]propan-1-ol?
3-amino-1-[3-(2-ethylbutoxy)phenyl]propan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(2-ethylbutoxy)phenyl]propan-1-ol is sourced from PubChem (CID 58027636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).