(2R)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-2-phenylethanol

C18H21NO2 — CID 107862702

IUPAC(2R)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-2-phenylethanol
SMILESCC1(C)Oc2ccccc2C1N[C@@H](CO)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-18(2)17(14-10-6-7-11-16(14)21-18)19-15(12-20)13-8-4-3-5-9-13/h3-11,15,17,19-20H,12H2,1-2H3/t15-,17?/m0/s1
InChIKeySFCADMWUPGMFLU-MYJWUSKBSA-N
MW283.37 g/mol
LogP3.22
Rot. Bonds4

About (2R)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-2-phenylethanol

(2R)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-2-phenylethanol (PubChem CID 107862702) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2R)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-2-phenylethanol
PubChem CID107862702
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(2R)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-2-phenylethanol
SMILESCC1(C)Oc2ccccc2C1N[C@@H](CO)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-18(2)17(14-10-6-7-11-16(14)21-18)19-15(12-20)13-8-4-3-5-9-13/h3-11,15,17,19-20H,12H2,1-2H3/t15-,17?/m0/s1
InChIKeySFCADMWUPGMFLU-MYJWUSKBSA-N
XLogP3.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]propan-1-ol
CID 106700871
2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-phenylethanol
CID 82797031
2,2-dimethyl-N-(4-methylpentan-2-yl)-3H-1-benzofuran-3-amine
CID 106700864
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-4-methylpentanoic acid
CID 106701074
3-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-4-methoxybutan-1-ol
CID 106157338
N-[(1R)-1-(3-chlorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701301
2,2-dimethyl-N-(1-thiophen-2-ylpropyl)-3H-1-benzofuran-3-amine
CID 106701059
N-[1-(4-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700773
2,2-dimethyl-N-(4-methylhexan-2-yl)-3H-1-benzofuran-3-amine
CID 106701222
2,2-dimethyl-N-(1-pyridin-4-ylethyl)-3H-1-benzofuran-3-amine
CID 106700774
N-[1-(3-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700810
(2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylethanol
CID 103788750

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-2-phenylethanol?
The IUPAC name of (2R)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-2-phenylethanol (CID 107862702) is (2R)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-2-phenylethanol is CC1(C)Oc2ccccc2C1N[C@@H](CO)c1ccccc1.
What is the InChIKey of (2R)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-2-phenylethanol?
The InChIKey is SFCADMWUPGMFLU-MYJWUSKBSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(2)17(14-10-6-7-11-16(14)21-18)19-15(12-20)13-8-4-3-5-9-13/h3-11,15,17,19-20H,12H2,1-2H3/t15-,17?/m0/s1.
What are the key properties of (2R)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-2-phenylethanol?
(2R)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-2-phenylethanol has a molecular weight of 283.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-2-phenylethanol is sourced from PubChem (CID 107862702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).