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

C18H21NO — CID 114331575

IUPAC2-[[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]phenol
SMILESCC1(C)Cc2ccccc2C1NCc1ccccc1O
InChIInChI=1S/C18H21NO/c1-18(2)11-13-7-3-5-9-15(13)17(18)19-12-14-8-4-6-10-16(14)20/h3-10,17,19-20H,11-12H2,1-2H3
InChIKeyFBEHEXDJCOXKFV-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.81
Rot. Bonds3

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

2-[[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]phenol (PubChem CID 114331575) 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]methyl]phenol.

Molecular Properties

Compound Name2-[[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]phenol
PubChem CID114331575
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-[[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]phenol
SMILESCC1(C)Cc2ccccc2C1NCc1ccccc1O
InChIInChI=1S/C18H21NO/c1-18(2)11-13-7-3-5-9-15(13)17(18)19-12-14-8-4-6-10-16(14)20/h3-10,17,19-20H,11-12H2,1-2H3
InChIKeyFBEHEXDJCOXKFV-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methoxy-3-pyridinyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82797013
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 115989408
2,2-dimethyl-N-[(3-methylphenyl)methyl]-1,3-dihydroinden-1-amine
CID 82821630
[2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]phenyl]methanol
CID 82821252
2,2-dimethyl-N-(2-phenylethyl)-1,3-dihydroinden-1-amine
CID 82820863
2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-dihydroinden-1-amine
CID 82821354
2,2-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-dihydroinden-1-amine
CID 82814406
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 113450019
3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-methylpropanamide
CID 82821829
2,2-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-dihydroinden-1-amine
CID 82798114
3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2,2-dimethylpropanamide
CID 106274962
N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040884

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]phenol?
The IUPAC name of 2-[[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]phenol (CID 114331575) is 2-[[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]phenol.
What is the SMILES notation for 2-[[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]phenol?
The canonical SMILES for 2-[[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]phenol is CC1(C)Cc2ccccc2C1NCc1ccccc1O.
What is the InChIKey of 2-[[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]phenol?
The InChIKey is FBEHEXDJCOXKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-18(2)11-13-7-3-5-9-15(13)17(18)19-12-14-8-4-6-10-16(14)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]methyl]phenol?
2-[[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]phenol has a molecular weight of 267.37 g/mol, XLogP of 3.81, 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]methyl]phenol is sourced from PubChem (CID 114331575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).