1-[(3-methylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol

C17H19NO — CID 107681870

IUPAC1-[(3-methylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol
SMILESCc1cccc(CNC2CCc3cc(O)ccc32)c1
InChIInChI=1S/C17H19NO/c1-12-3-2-4-13(9-12)11-18-17-8-5-14-10-15(19)6-7-16(14)17/h2-4,6-7,9-10,17-19H,5,8,11H2,1H3
InChIKeyAUCWGPDGDRJBIT-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.48
Rot. Bonds3

About 1-[(3-methylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol

1-[(3-methylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol (PubChem CID 107681870) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-[(3-methylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol
PubChem CID107681870
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name1-[(3-methylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol
SMILESCc1cccc(CNC2CCc3cc(O)ccc32)c1
InChIInChI=1S/C17H19NO/c1-12-3-2-4-13(9-12)11-18-17-8-5-14-10-15(19)6-7-16(14)17/h2-4,6-7,9-10,17-19H,5,8,11H2,1H3
InChIKeyAUCWGPDGDRJBIT-UHFFFAOYSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(3-methylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3-methylphenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682315
1-[(4-ethylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682734
[3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
CID 103781821
5-[(4-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114331480
5-bromo-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 61401280
4-methyl-N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418179
1-[(2-ethyl-2-hydroxybutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107682417
1-(2-phenylpropylamino)-2,3-dihydro-1H-inden-5-ol
CID 107681875
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
1-(2-bromoprop-2-enylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682656
1-(2-methylsulfinylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682669
1-[2-[cyclopropyl(methyl)amino]ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682345

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-[(3-methylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol (CID 107681870) is 1-[(3-methylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-[(3-methylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-[(3-methylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol is Cc1cccc(CNC2CCc3cc(O)ccc32)c1.
What is the InChIKey of 1-[(3-methylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is AUCWGPDGDRJBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-3-2-4-13(9-12)11-18-17-8-5-14-10-15(19)6-7-16(14)17/h2-4,6-7,9-10,17-19H,5,8,11H2,1H3.
What are the key properties of 1-[(3-methylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol?
1-[(3-methylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 253.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107681870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).