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

C18H21NO — CID 107682315

IUPAC1-[2-(3-methylphenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
SMILESCc1cccc(CCNC2CCc3cc(O)ccc32)c1
InChIInChI=1S/C18H21NO/c1-13-3-2-4-14(11-13)9-10-19-18-8-5-15-12-16(20)6-7-17(15)18/h2-4,6-7,11-12,18-20H,5,8-10H2,1H3
InChIKeyAQGGAHSZULQVHC-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.52
Rot. Bonds4

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

1-[2-(3-methylphenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol (PubChem CID 107682315) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-(3-methylphenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-[2-(3-methylphenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
PubChem CID107682315
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-[2-(3-methylphenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
SMILESCc1cccc(CCNC2CCc3cc(O)ccc32)c1
InChIInChI=1S/C18H21NO/c1-13-3-2-4-14(11-13)9-10-19-18-8-5-15-12-16(20)6-7-17(15)18/h2-4,6-7,11-12,18-20H,5,8-10H2,1H3
InChIKeyAQGGAHSZULQVHC-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol
CID 107681870
1-[2-[cyclopropyl(methyl)amino]ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682345
1-(2-methylsulfinylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682669
1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682163
1-[2-(1,3-thiazol-4-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682370
1-[2-(1-methylimidazol-2-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682234
1-[(2-ethyl-2-hydroxybutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107682417
1-[(4-ethylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682734
1-[2-(trifluoromethylsulfanyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 114187434
N-[2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103777702
(E)-3-[1-[2-(3,4-dimethylphenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 58614285
3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-propylpropanamide
CID 107682295

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-[2-(3-methylphenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol (CID 107682315) is 1-[2-(3-methylphenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-[2-(3-methylphenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-[2-(3-methylphenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol is Cc1cccc(CCNC2CCc3cc(O)ccc32)c1.
What is the InChIKey of 1-[2-(3-methylphenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is AQGGAHSZULQVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-3-2-4-14(11-13)9-10-19-18-8-5-15-12-16(20)6-7-17(15)18/h2-4,6-7,11-12,18-20H,5,8-10H2,1H3.
What are the key properties of 1-[2-(3-methylphenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol?
1-[2-(3-methylphenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 267.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107682315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).