2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol

C18H21NO — CID 81339043

IUPAC2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol
SMILESCc1ccc2c(c1)C(NC(CO)c1ccccc1)CC2
InChIInChI=1S/C18H21NO/c1-13-7-8-14-9-10-17(16(14)11-13)19-18(12-20)15-5-3-2-4-6-15/h2-8,11,17-20H,9-10,12H2,1H3
InChIKeyXQBVIDNWRKDFAZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.31
Rot. Bonds4

About 2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol

2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol (PubChem CID 81339043) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol
PubChem CID81339043
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol
SMILESCc1ccc2c(c1)C(NC(CO)c1ccccc1)CC2
InChIInChI=1S/C18H21NO/c1-13-7-8-14-9-10-17(16(14)11-13)19-18(12-20)15-5-3-2-4-6-15/h2-8,11,17-20H,9-10,12H2,1H3
InChIKeyXQBVIDNWRKDFAZ-UHFFFAOYSA-N
XLogP3.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol?
The IUPAC name of 2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol (CID 81339043) is 2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol.
What is the SMILES notation for 2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol?
The canonical SMILES for 2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol is Cc1ccc2c(c1)C(NC(CO)c1ccccc1)CC2.
What is the InChIKey of 2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol?
The InChIKey is XQBVIDNWRKDFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-7-8-14-9-10-17(16(14)11-13)19-18(12-20)15-5-3-2-4-6-15/h2-8,11,17-20H,9-10,12H2,1H3.
What are the key properties of 2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol?
2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol has a molecular weight of 267.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol is sourced from PubChem (CID 81339043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).