3-(furan-2-ylmethylamino)-2-methyl-1,1-diphenylpropan-1-ol

C21H23NO2 — CID 3063265

IUPAC3-(furan-2-ylmethylamino)-2-methyl-1,1-diphenylpropan-1-ol
SMILESCC(CNCc1ccco1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO2/c1-17(15-22-16-20-13-8-14-24-20)21(23,18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,17,22-23H,15-16H2,1H3
InChIKeyZQYDMNMPHKWKJM-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.94
Rot. Bonds7

About 3-(furan-2-ylmethylamino)-2-methyl-1,1-diphenylpropan-1-ol

3-(furan-2-ylmethylamino)-2-methyl-1,1-diphenylpropan-1-ol (PubChem CID 3063265) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-(furan-2-ylmethylamino)-2-methyl-1,1-diphenylpropan-1-ol.

Molecular Properties

Compound Name3-(furan-2-ylmethylamino)-2-methyl-1,1-diphenylpropan-1-ol
PubChem CID3063265
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name3-(furan-2-ylmethylamino)-2-methyl-1,1-diphenylpropan-1-ol
SMILESCC(CNCc1ccco1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO2/c1-17(15-22-16-20-13-8-14-24-20)21(23,18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,17,22-23H,15-16H2,1H3
InChIKeyZQYDMNMPHKWKJM-UHFFFAOYSA-N
XLogP3.94
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-2,2-diphenylethanamine
CID 103603203
1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol
CID 2738628
(2R)-1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol
CID 7221655
1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol
CID 115623530
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
N-(furan-2-ylmethyl)-3-methyl-2-phenylpentan-1-amine
CID 54884385
1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
CID 61150201
2-N-benzyl-2-N-ethyl-1-N-(furan-2-ylmethyl)propane-1,2-diamine
CID 62556964
(3S)-1-N-(furan-2-ylmethyl)butane-1,3-diamine
CID 66594455
3-(furan-2-ylmethylamino)-3-methylbutan-2-ol
CID 115866780
1-N-(furan-2-ylmethyl)-3-methylpentane-1,2-diamine
CID 61150352
N-(furan-2-ylmethyl)-2-(2-methylpropoxy)propan-1-amine
CID 62567476

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylamino)-2-methyl-1,1-diphenylpropan-1-ol?
The IUPAC name of 3-(furan-2-ylmethylamino)-2-methyl-1,1-diphenylpropan-1-ol (CID 3063265) is 3-(furan-2-ylmethylamino)-2-methyl-1,1-diphenylpropan-1-ol.
What is the SMILES notation for 3-(furan-2-ylmethylamino)-2-methyl-1,1-diphenylpropan-1-ol?
The canonical SMILES for 3-(furan-2-ylmethylamino)-2-methyl-1,1-diphenylpropan-1-ol is CC(CNCc1ccco1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(furan-2-ylmethylamino)-2-methyl-1,1-diphenylpropan-1-ol?
The InChIKey is ZQYDMNMPHKWKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-17(15-22-16-20-13-8-14-24-20)21(23,18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,17,22-23H,15-16H2,1H3.
What are the key properties of 3-(furan-2-ylmethylamino)-2-methyl-1,1-diphenylpropan-1-ol?
3-(furan-2-ylmethylamino)-2-methyl-1,1-diphenylpropan-1-ol has a molecular weight of 321.42 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylamino)-2-methyl-1,1-diphenylpropan-1-ol is sourced from PubChem (CID 3063265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).