1-(tert-butylamino)-3-(3-phenylpropoxy)propan-2-ol

C16H27NO2 — CID 12797748

IUPAC1-(tert-butylamino)-3-(3-phenylpropoxy)propan-2-ol
SMILESCC(C)(C)NCC(O)COCCCc1ccccc1
InChIInChI=1S/C16H27NO2/c1-16(2,3)17-12-15(18)13-19-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,15,17-18H,7,10-13H2,1-3H3
InChIKeyDIPZLMTXEYPGFO-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.38
Rot. Bonds8

About 1-(tert-butylamino)-3-(3-phenylpropoxy)propan-2-ol

1-(tert-butylamino)-3-(3-phenylpropoxy)propan-2-ol (PubChem CID 12797748) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(3-phenylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(3-phenylpropoxy)propan-2-ol
PubChem CID12797748
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(tert-butylamino)-3-(3-phenylpropoxy)propan-2-ol
SMILESCC(C)(C)NCC(O)COCCCc1ccccc1
InChIInChI=1S/C16H27NO2/c1-16(2,3)17-12-15(18)13-19-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,15,17-18H,7,10-13H2,1-3H3
InChIKeyDIPZLMTXEYPGFO-UHFFFAOYSA-N
XLogP2.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.38
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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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(3-phenylpropoxy)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(3-phenylpropoxy)propan-2-ol (CID 12797748) is 1-(tert-butylamino)-3-(3-phenylpropoxy)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(3-phenylpropoxy)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(3-phenylpropoxy)propan-2-ol is CC(C)(C)NCC(O)COCCCc1ccccc1.
What is the InChIKey of 1-(tert-butylamino)-3-(3-phenylpropoxy)propan-2-ol?
The InChIKey is DIPZLMTXEYPGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-16(2,3)17-12-15(18)13-19-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,15,17-18H,7,10-13H2,1-3H3.
What are the key properties of 1-(tert-butylamino)-3-(3-phenylpropoxy)propan-2-ol?
1-(tert-butylamino)-3-(3-phenylpropoxy)propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(3-phenylpropoxy)propan-2-ol is sourced from PubChem (CID 12797748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).