2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-phenylethanol

C19H23NO — CID 82797031

IUPAC2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-phenylethanol
SMILESCC1(C)Cc2ccccc2C1NC(CO)c1ccccc1
InChIInChI=1S/C19H23NO/c1-19(2)12-15-10-6-7-11-16(15)18(19)20-17(13-21)14-8-4-3-5-9-14/h3-11,17-18,20-21H,12-13H2,1-2H3
InChIKeyJKYKCYAQLSAGNB-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.63
Rot. Bonds4

About 2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-phenylethanol

2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-phenylethanol (PubChem CID 82797031) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-phenylethanol
PubChem CID82797031
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-phenylethanol
SMILESCC1(C)Cc2ccccc2C1NC(CO)c1ccccc1
InChIInChI=1S/C19H23NO/c1-19(2)12-15-10-6-7-11-16(15)18(19)20-17(13-21)14-8-4-3-5-9-14/h3-11,17-18,20-21H,12-13H2,1-2H3
InChIKeyJKYKCYAQLSAGNB-UHFFFAOYSA-N
XLogP3.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]butan-1-ol
CID 83177492
(2R)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-2-phenylethanol
CID 107862702
(2S)-2-[(2,2-dimethylcyclohexyl)amino]-2-phenylethanol
CID 107862211
2-[(3,3-dimethylpiperidin-4-yl)amino]-2-phenylethanol
CID 114235448
(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)-2-phenylethanol
CID 103788767
2-[(4,4-dimethylthian-3-yl)amino]-2-phenylethanol
CID 79947872
N-(1-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82814694
N-(1-cyclopropylbutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82815193
2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine
CID 82814846
[2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]phenyl]methanol
CID 82821252
N-[(1R)-1-cycloheptylethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82796846
N-(1-cyclohexylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82797825

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-phenylethanol?
The IUPAC name of 2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-phenylethanol (CID 82797031) is 2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-phenylethanol.
What is the SMILES notation for 2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-phenylethanol?
The canonical SMILES for 2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-phenylethanol is CC1(C)Cc2ccccc2C1NC(CO)c1ccccc1.
What is the InChIKey of 2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-phenylethanol?
The InChIKey is JKYKCYAQLSAGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-19(2)12-15-10-6-7-11-16(15)18(19)20-17(13-21)14-8-4-3-5-9-14/h3-11,17-18,20-21H,12-13H2,1-2H3.
What are the key properties of 2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-phenylethanol?
2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-phenylethanol has a molecular weight of 281.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-phenylethanol is sourced from PubChem (CID 82797031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).