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

C19H25NO3 — CID 67317385

IUPAC3-amino-1-[3-(2-phenylmethoxypropoxy)phenyl]propan-1-ol
SMILESCC(COc1cccc(C(O)CCN)c1)OCc1ccccc1
InChIInChI=1S/C19H25NO3/c1-15(22-14-16-6-3-2-4-7-16)13-23-18-9-5-8-17(12-18)19(21)10-11-20/h2-9,12,15,19,21H,10-11,13-14,20H2,1H3
InChIKeyGRNRSGVFEUXMKM-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.05
Rot. Bonds9

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

3-amino-1-[3-(2-phenylmethoxypropoxy)phenyl]propan-1-ol (PubChem CID 67317385) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 3-amino-1-[3-(2-phenylmethoxypropoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[3-(2-phenylmethoxypropoxy)phenyl]propan-1-ol
PubChem CID67317385
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name3-amino-1-[3-(2-phenylmethoxypropoxy)phenyl]propan-1-ol
SMILESCC(COc1cccc(C(O)CCN)c1)OCc1ccccc1
InChIInChI=1S/C19H25NO3/c1-15(22-14-16-6-3-2-4-7-16)13-23-18-9-5-8-17(12-18)19(21)10-11-20/h2-9,12,15,19,21H,10-11,13-14,20H2,1H3
InChIKeyGRNRSGVFEUXMKM-UHFFFAOYSA-N
XLogP3.05
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 79135598
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(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
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CID 89189472
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CID 137375721
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CID 68644594
1-[3-(phenylmethoxymethoxy)phenyl]ethanol
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1-[[3-(3-amino-1-hydroxypropyl)phenoxy]methyl]cyclobutan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(2-phenylmethoxypropoxy)phenyl]propan-1-ol?
The IUPAC name of 3-amino-1-[3-(2-phenylmethoxypropoxy)phenyl]propan-1-ol (CID 67317385) is 3-amino-1-[3-(2-phenylmethoxypropoxy)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[3-(2-phenylmethoxypropoxy)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-1-[3-(2-phenylmethoxypropoxy)phenyl]propan-1-ol is CC(COc1cccc(C(O)CCN)c1)OCc1ccccc1.
What is the InChIKey of 3-amino-1-[3-(2-phenylmethoxypropoxy)phenyl]propan-1-ol?
The InChIKey is GRNRSGVFEUXMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-15(22-14-16-6-3-2-4-7-16)13-23-18-9-5-8-17(12-18)19(21)10-11-20/h2-9,12,15,19,21H,10-11,13-14,20H2,1H3.
What are the key properties of 3-amino-1-[3-(2-phenylmethoxypropoxy)phenyl]propan-1-ol?
3-amino-1-[3-(2-phenylmethoxypropoxy)phenyl]propan-1-ol has a molecular weight of 315.41 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(2-phenylmethoxypropoxy)phenyl]propan-1-ol is sourced from PubChem (CID 67317385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).