3-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol

C18H25NO2 — CID 63193959

IUPAC3-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol
SMILESCCN(Cc1ccco1)CC(C)(C)C(O)c1ccccc1
InChIInChI=1S/C18H25NO2/c1-4-19(13-16-11-8-12-21-16)14-18(2,3)17(20)15-9-6-5-7-10-15/h5-12,17,20H,4,13-14H2,1-3H3
InChIKeyBEUNCTGEGZDMFF-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.86
Rot. Bonds7

About 3-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol

3-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol (PubChem CID 63193959) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 3-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol
PubChem CID63193959
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name3-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol
SMILESCCN(Cc1ccco1)CC(C)(C)C(O)c1ccccc1
InChIInChI=1S/C18H25NO2/c1-4-19(13-16-11-8-12-21-16)14-18(2,3)17(20)15-9-6-5-7-10-15/h5-12,17,20H,4,13-14H2,1-3H3
InChIKeyBEUNCTGEGZDMFF-UHFFFAOYSA-N
XLogP3.86
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol?
The IUPAC name of 3-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol (CID 63193959) is 3-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol?
The canonical SMILES for 3-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol is CCN(Cc1ccco1)CC(C)(C)C(O)c1ccccc1.
What is the InChIKey of 3-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol?
The InChIKey is BEUNCTGEGZDMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-4-19(13-16-11-8-12-21-16)14-18(2,3)17(20)15-9-6-5-7-10-15/h5-12,17,20H,4,13-14H2,1-3H3.
What are the key properties of 3-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol?
3-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol has a molecular weight of 287.40 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol is sourced from PubChem (CID 63193959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).