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

C18H21NO — CID 82821252

IUPAC[2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]phenyl]methanol
SMILESCC1(C)Cc2ccccc2C1Nc1ccccc1CO
InChIInChI=1S/C18H21NO/c1-18(2)11-13-7-3-5-9-15(13)17(18)19-16-10-6-4-8-14(16)12-20/h3-10,17,19-20H,11-12H2,1-2H3
InChIKeyXOZLBUOXNROBMU-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.91
Rot. Bonds3

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

[2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]phenyl]methanol (PubChem CID 82821252) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is [2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]phenyl]methanol
PubChem CID82821252
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name[2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]phenyl]methanol
SMILESCC1(C)Cc2ccccc2C1Nc1ccccc1CO
InChIInChI=1S/C18H21NO/c1-18(2)11-13-7-3-5-9-15(13)17(18)19-16-10-6-4-8-14(16)12-20/h3-10,17,19-20H,11-12H2,1-2H3
InChIKeyXOZLBUOXNROBMU-UHFFFAOYSA-N
XLogP3.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]phenyl]methanol?
The IUPAC name of [2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]phenyl]methanol (CID 82821252) is [2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]phenyl]methanol.
What is the SMILES notation for [2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]phenyl]methanol?
The canonical SMILES for [2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]phenyl]methanol is CC1(C)Cc2ccccc2C1Nc1ccccc1CO.
What is the InChIKey of [2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]phenyl]methanol?
The InChIKey is XOZLBUOXNROBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-18(2)11-13-7-3-5-9-15(13)17(18)19-16-10-6-4-8-14(16)12-20/h3-10,17,19-20H,11-12H2,1-2H3.
What are the key properties of [2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]phenyl]methanol?
[2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]phenyl]methanol has a molecular weight of 267.37 g/mol, XLogP of 3.91, 3 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]phenyl]methanol is sourced from PubChem (CID 82821252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).