1-[(4-ethylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol

C18H21NO — CID 107682734

IUPAC1-[(4-ethylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol
SMILESCCc1ccc(CNC2CCc3cc(O)ccc32)cc1
InChIInChI=1S/C18H21NO/c1-2-13-3-5-14(6-4-13)12-19-18-10-7-15-11-16(20)8-9-17(15)18/h3-6,8-9,11,18-20H,2,7,10,12H2,1H3
InChIKeyNPNSMSDKRLFMLU-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.73
Rot. Bonds4

About 1-[(4-ethylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol

1-[(4-ethylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol (PubChem CID 107682734) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol
PubChem CID107682734
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-[(4-ethylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol
SMILESCCc1ccc(CNC2CCc3cc(O)ccc32)cc1
InChIInChI=1S/C18H21NO/c1-2-13-3-5-14(6-4-13)12-19-18-10-7-15-11-16(20)8-9-17(15)18/h3-6,8-9,11,18-20H,2,7,10,12H2,1H3
InChIKeyNPNSMSDKRLFMLU-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-[(4-ethylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol (CID 107682734) is 1-[(4-ethylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-[(4-ethylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-[(4-ethylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol is CCc1ccc(CNC2CCc3cc(O)ccc32)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is NPNSMSDKRLFMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-13-3-5-14(6-4-13)12-19-18-10-7-15-11-16(20)8-9-17(15)18/h3-6,8-9,11,18-20H,2,7,10,12H2,1H3.
What are the key properties of 1-[(4-ethylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol?
1-[(4-ethylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 267.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107682734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).