3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol

C18H21NO — CID 14030301

IUPAC3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccccc1C1Cc2c(C)cc(C)c(O)c2C1N
InChIInChI=1S/C18H21NO/c1-10-6-4-5-7-13(10)15-9-14-11(2)8-12(3)18(20)16(14)17(15)19/h4-8,15,17,20H,9,19H2,1-3H3
InChIKeyDBOVGFCMRIINHH-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.66
Rot. Bonds1

About 3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol

3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol (PubChem CID 14030301) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol
PubChem CID14030301
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccccc1C1Cc2c(C)cc(C)c(O)c2C1N
InChIInChI=1S/C18H21NO/c1-10-6-4-5-7-13(10)15-9-14-11(2)8-12(3)18(20)16(14)17(15)19/h4-8,15,17,20H,9,19H2,1-3H3
InChIKeyDBOVGFCMRIINHH-UHFFFAOYSA-N
XLogP3.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.66
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

3-amino-7-chloro-5-methyl-2-phenyl-2,3-dihydro-1H-inden-4-ol
CID 14030309
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[7-hydroxy-4,6-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 14030372
2,4-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 79003847
2,4,7-trimethyl-2,3-dihydro-1H-inden-1-amine
CID 79729666
4-methyl-3-(2-methylphenyl)cyclohexan-1-amine
CID 165497411
trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol
CID 11263979
2-(2-methylphenyl)-4-propan-2-ylcyclohexan-1-amine
CID 81013335
2,6-bis(2-methylphenyl)-1-phenylphosphinan-4-one
CID 21018065
(1R)-1-[(1S,2S)-2-(2-methylphenyl)cyclopropyl]ethanamine
CID 28912263
1-[(1R,2R)-2-tert-butylcyclopropyl]-2-methylbenzene
CID 59774098
4-[(3R,4R)-4-(2-methylphenyl)pyrrolidin-3-yl]benzene-1,2-diol
CID 70090139
9-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methyl-9H-fluorene
CID 167648969

Frequently Asked Questions

What is the IUPAC name of 3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol (CID 14030301) is 3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol is Cc1ccccc1C1Cc2c(C)cc(C)c(O)c2C1N.
What is the InChIKey of 3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is DBOVGFCMRIINHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-10-6-4-5-7-13(10)15-9-14-11(2)8-12(3)18(20)16(14)17(15)19/h4-8,15,17,20H,9,19H2,1-3H3.
What are the key properties of 3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol?
3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol has a molecular weight of 267.37 g/mol, XLogP of 3.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 14030301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).